SCHEMBL3269719

SCHEMBL3269719

Cc1ccc2nc(C(C)(C)C)[nH]c2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
KMT2A Q03164 2/20 0.54
POLB P06746 1/20 0.54
SCN10A Q9Y5Y9 2/20 0.54
KCNH2 Q12809 1/20 0.54
HPGD P15428 2/20 0.53
USP2 O75604 1/20 0.53
HTT P42858 1/20 0.53
CYP1A2 P05177 1/20 0.51
PIN1 Q13526 1/20 0.51
KDM4E B2RXH2 2/20 0.51
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
GAA P10253 2/20 0.50
HSD17B10 Q99714 1/20 0.50
NPSR1 Q6W5P4 1/20 0.48
ADORA2A P29274 1/20 0.47
METAP2 P50579 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18462380 0.86 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2L3MBTL1KMT2APOLB
SCHEMBL1129034 0.86 KDM4E (0.53) ALDH1A1SMN1; SMN2L3MBTL1KMT2APOLB
SCHEMBL10005347 0.85 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2L3MBTL1KMT2APOLB
SCHEMBL436153 0.84 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2L3MBTL1KMT2APOLB
SCHEMBL846652 0.81 SCN10A (0.78) ALDH1A1SMN1; SMN2L3MBTL1SCN10AKCNH2
SCHEMBL10220066 0.80 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2L3MBTL1SCN10AKCNH2
SCHEMBL18659837 0.80 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2L3MBTL1POLBSCN10A
SCHEMBL10248233 0.80 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2L3MBTL1KMT2ASCN10A
SCHEMBL521629 0.80 MAPT (0.68) ALDH1A1SMN1; SMN2L3MBTL1KMT2APOLB
SCHEMBL803692 0.80 CSNK1D (0.59) ALDH1A1SMN1; SMN2L3MBTL1SCN10AKCNH2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11236052-B2 Aminobenzimidazole derivatives, treatments, and methods of inhibiting histone deacetylase TRANSLATIONAL DRUG DEVELOPMENT, LLC (US) 2022-02-01 US disclosed
US-20210252035-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS Epizyme, Inc. 2021-08-19 US disclosed
US-20210061770-A1 AMINOBENZIMIDAZOLE DERIVATIVES, TREATMENTS, AND METHODS OF INHIBITING HISTONE DEACETYLASE TRANSLATIONAL DRUG DEVELOPMENT, LLC 2021-03-04 US disclosed
US-10766912-B2 Silicon-containing compound for resistance to hepatitis C virus infection CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2020-09-08 US disclosed
US-20200113923-A1 DOT1L INHIBITORS FOR USE IN THE TREATMENT OF LEUKEMIA Epizyme, Inc. 2020-04-16 US disclosed
US-10450286-B2 Compounds and compositions for inhibition of FASN FORMA THERAPEUTICS, INC. (US) 2019-10-22 US disclosed
US-20190100552-A1 INHIBITORS OF PROTEIN METHYLTRANSFERASE DOT1L AND METHODS OF USE THEREOF Epizyme, Inc. 2019-04-04 US disclosed
US-10039754-B2 Anti-viral compounds ABBVIE INC. (US) 2018-08-07 US disclosed
US-10028937-B2 Anti-viral compounds ABBVIE INC. (US) 2018-07-24 US disclosed
US-20170313989-A1 INHIBITION AND ENHANCEMENT OF REPROGRAMMING BY CHROMATIN MODIFYING ENZYMES CHILDREN'S MEDICAL CENTER CORPORATION (US) 2017-11-02 US disclosed
US-20140051654-A1 Substituted Purine and 7-Deazapurine Compounds Epizyme, Inc. (US) 2014-02-20 US disclosed
US-8580762-B2 Substituted purine and 7-deazapurine compounds Epizyme, Inc. (US) 2013-11-12 US disclosed
US-20120142625-A1 Substituted Purine And 7-Deazapurine Compounds Epizyme, Inc. (US) 2012-06-07 US disclosed
US-20120004196-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2012-01-05 US disclosed
US-20110092415-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2011-04-21 US disclosed
US-20100317568-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-12-16 US disclosed
US-20100267634-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-10-21 US disclosed
US-20100260715-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2010-10-14 US disclosed
US-7312229-B2 21-Heterocyclic-4-azasteroid derivatives as androgen receptor modulators MERCK & CO., INC. (US) 2007-12-25 US disclosed
US-20070088047-A1 21-Heterocyclic-4-azasteroid derivatives as androgen receptor modulators MERCK SHARP & DOHME CORP. 2007-04-19 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (17 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100317568-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885SMN1; SMN2 4141/4885L3MBTL1 2364/4885
US-20100267634-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885SMN1; SMN2 4141/4885L3MBTL1 2364/4885
US-10028937-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885SMN1; SMN2 4141/4885L3MBTL1 2364/4885
US-20100260715-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 ALDH1A1 365/4885SMN1; SMN2 4162/4885L3MBTL1 2575/4885
US-20070088047-A1 21-Heterocyclic-4-azasteroid derivatives as androgen receptor modulators NR5A1, AR, NR3C1 ALDH1A1 1782/4885SMN1; SMN2 2573/4885L3MBTL1 1793/4885
US-11236052-B2 Aminobenzimidazole derivatives, treatments, and methods of inhibiting histone deacetylase HDAC5, HDAC1, HDAC4 ALDH1A1 1142/4885SMN1; SMN2 2921/4885L3MBTL1 838/4885
US-20190100552-A1 INHIBITORS OF PROTEIN METHYLTRANSFERASE DOT1L AND METHODS OF USE THEREOF DOT1L, PRMT1, CARM1 ALDH1A1 2404/4885SMN1; SMN2 1240/4885L3MBTL1 151/4885
US-20110092415-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885SMN1; SMN2 4141/4885L3MBTL1 2364/4885
US-20210061770-A1 AMINOBENZIMIDAZOLE DERIVATIVES, TREATMENTS, AND METHODS OF INHIBITING HISTONE DEACETYLASE HDAC5, HDAC1, HDAC4 ALDH1A1 1142/4885SMN1; SMN2 2921/4885L3MBTL1 838/4885
US-20200113923-A1 DOT1L INHIBITORS FOR USE IN THE TREATMENT OF LEUKEMIA DOT1L, CARM1, MCL1 ALDH1A1 1884/4885SMN1; SMN2 1819/4885L3MBTL1 412/4885
US-10450286-B2 Compounds and compositions for inhibition of FASN FASN, FABP1, SCD ALDH1A1 1393/4885SMN1; SMN2 1719/4885L3MBTL1 3269/4885
US-20210252035-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS TPMT, DIMT1, DAZAP1 ALDH1A1 592/4885SMN1; SMN2 434/4885L3MBTL1 699/4885
US-10766912-B2 Silicon-containing compound for resistance to hepatitis C virus infection SLC11A2, SLC10A1, SLC39A11 ALDH1A1 3793/4885SMN1; SMN2 1177/4885L3MBTL1 3568/4885
US-20140051654-A1 Substituted Purine and 7-Deazapurine Compounds TPMT, DIMT1, DAZAP1 ALDH1A1 592/4885SMN1; SMN2 434/4885L3MBTL1 699/4885
US-20120004196-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885SMN1; SMN2 4141/4885L3MBTL1 2364/4885
US-20120142625-A1 Substituted Purine And 7-Deazapurine Compounds TPMT, DIMT1, DAZAP1 ALDH1A1 592/4885SMN1; SMN2 434/4885L3MBTL1 699/4885
US-10039754-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885SMN1; SMN2 4141/4885L3MBTL1 2364/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.