SCHEMBL2708178

SCHEMBL2708178

CC(C)c1ccc2nc(C(C)(C)C)[nH]c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
SCN10A Q9Y5Y9 8/20 0.52
KCNH2 Q12809 1/20 0.50
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2E1 P05181 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2B6 P20813 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
KIF11 P52732 1/20 0.40
EIF4A3 P38919 1/20 0.40

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
SCHEMBL2707923 0.88 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2L3MBTL1SCN10AKCNH2
SCHEMBL10284444 0.87 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2L3MBTL1SCN10AKCNH2
SCHEMBL5988285 0.87 SMN1; SMN2 (0.43) ALDH1A1SMN1; SMN2L3MBTL1SCN10AKCNH2
SCHEMBL24985775 0.85 KDM4E (0.58) ALDH1A1SMN1; SMN2L3MBTL1SCN10AKCNH2
SCHEMBL12236988 0.84 SCN10A (0.48) ALDH1A1SMN1; SMN2L3MBTL1SCN10AKCNH2
SCHEMBL13447673 0.82 L3MBTL1 (0.44) ALDH1A1SMN1; SMN2L3MBTL1SCN10AKCNH2
SCHEMBL798790 0.77 SCN10A (0.69) ALDH1A1SCN10ACYP1A2HPGDALOX15
SCHEMBL5987543 0.77 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2SCN10ACYP1A2HPGD
SCHEMBL3269719 0.77 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2L3MBTL1SCN10AKCNH2
SCHEMBL846652 0.77 SCN10A (0.78) 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 67 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230285378-A1 Anti-Viral Compounds ABBVIE INC. (US) 2023-09-14 US disclosed
US-20230285378-A1 Anti-Viral Compounds ABBVIE INC. (US) 2023-09-14 US disclosed
US-20230030115-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO LTD (CN) 2023-02-02 US disclosed
US-10800750-B2 Compounds and compositions for inhibition of FASN FORMA THERAPEUTICS, INC. (US) 2020-10-13 US disclosed
WO-2020157550-A1 POLYMERIC BLEND COMPOSITE AND A PROCESS FOR PREPARING THE SAME GHARDA CHEMICALS LIMITED (IN) 2020-08-06 WO disclosed
US-20190241532-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR INHIBITION OF FASN FORMA THERAPEUTICS, INC. 2019-08-08 US disclosed
US-20190015402-A1 Anti-Viral Compounds ABBVIE INC. (US) 2019-01-17 US disclosed
US-10039754-B2 Anti-viral compounds ABBVIE INC. (US) 2018-08-07 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-20120004196-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2012-01-05 US disclosed
US-8088368-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
US-20110207699-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2011-08-25 US disclosed
US-20110207699-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2011-08-25 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-20100317568-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-12-16 US disclosed
US-20100310512-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2010-12-09 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

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

For each of this compound's patents that has machine-readable text (14 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-20230285378-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885SMN1; SMN2 4141/4885L3MBTL1 2364/4885
US-20110092415-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885SMN1; SMN2 4141/4885L3MBTL1 2364/4885
US-20230030115-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF ROCK1, ROCK2, RHOA ALDH1A1 4501/4885SMN1; SMN2 2820/4885L3MBTL1 4857/4885
US-20110207699-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885SMN1; SMN2 4141/4885L3MBTL1 2364/4885
US-20190241532-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR INHIBITION OF FASN FASN, FABP1, SCD ALDH1A1 1643/4885SMN1; SMN2 2061/4885L3MBTL1 2751/4885
US-20190015402-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885SMN1; SMN2 4141/4885L3MBTL1 2364/4885
US-20100310512-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ALDH1A1 3957/4885SMN1; SMN2 1564/4885L3MBTL1 2200/4885
US-20120004196-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885SMN1; SMN2 4141/4885L3MBTL1 2364/4885
US-10800750-B2 Compounds and compositions for inhibition of FASN FASN, FABP1, SCD ALDH1A1 1393/4885SMN1; SMN2 1719/4885L3MBTL1 3269/4885
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.