SCHEMBL10248233

SCHEMBL10248233

CC(C)(C)c1nc2ccc(Cl)cc2[nH]1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.61
▸ SMN1; SMN2 Q16637 3/20 0.60
▸ HPGD P15428 3/20 0.60
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ HTR3E A5X5Y0 1/20 0.56
▸ HTR3B O95264 1/20 0.56
▸ HTR3A P46098 1/20 0.56
▸ BACE1 P56817 1/20 0.56
▸ HTR3D Q70Z44 1/20 0.56
▸ HTR3C Q8WXA8 1/20 0.56
▸ SCN10A Q9Y5Y9 2/20 0.53
▸ KCNH2 Q12809 1/20 0.53
▸ PSMB8 P28062 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ SSTR4 P31391 2/20 0.51
▸ HSD17B10 Q99714 2/20 0.50
▸ TP53 P04637 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50

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
SCHEMBL10248397 0.86 SMN1; SMN2 (0.45) ALDH1A1SMN1; SMN2HPGDL3MBTL1HTR3E
SCHEMBL1358510 0.84 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2HPGDHTR3EHTR3B
SCHEMBL23843237 0.83 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2HPGDHTR3EHTR3B
SCHEMBL9866412 0.82 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2HPGDL3MBTL1HTR3E
SCHEMBL21937229 0.81 SMN1; SMN2 (0.42) ALDH1A1SMN1; SMN2HPGDL3MBTL1HTR3E
SCHEMBL3269719 0.80 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2HPGDL3MBTL1SCN10A
SCHEMBL846652 0.80 SCN10A (0.78) ALDH1A1SMN1; SMN2L3MBTL1SCN10AKCNH2
SCHEMBL521629 0.79 MAPT (0.68) ALDH1A1SMN1; SMN2HPGDL3MBTL1SCN10A
SCHEMBL18659837 0.79 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2HPGDL3MBTL1SCN10A
SCHEMBL10220066 0.79 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2HPGDL3MBTL1SCN10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11337970-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use BRISTOL-MYERS SQUIBB COMPANY (US) 2022-05-24 — — US disclosed
US-20220144840-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN THE TREATMENT OF AMYLOID-RELATED DISEASES D. E. SHAW RESEARCH, LLC 2022-05-12 — — US disclosed
US-11203592-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use BRISTOL-MYERS SQUIBB COMPANY (US) 2021-12-21 — — US disclosed
US-20210290613-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL-MYERS SQUIBB COMPANY 2021-09-23 — — US disclosed
US-20210252035-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS Epizyme, Inc. 2021-08-19 — — US disclosed
US-20210221806-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL-MYERS SQUIBB COMPANY 2021-07-22 — — US disclosed
US-20190100552-A1 INHIBITORS OF PROTEIN METHYLTRANSFERASE DOT1L AND METHODS OF USE THEREOF Epizyme, Inc. 2019-04-04 — — US disclosed
US-9938236-B2 Antiviral agents against HBV infection DREXEL UNIVERSITY (US) 2018-04-10 — — 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-20170313989-A1 INHIBITION AND ENHANCEMENT OF REPROGRAMMING BY CHROMATIN MODIFYING ENZYMES CHILDREN'S MEDICAL CENTER CORPORATION (US) 2017-11-02 — — US disclosed
US-20150342979-A1 DOT1L INHIBITORS FOR USE IN THE TREATMENT OF LEUKEMIA Epizyme, Inc. 2015-12-03 — — US disclosed
US-20150284422-A1 INHIBITORS OF PROTEIN METHYLTRANSFERASE DOT1L AND METHODS OF USE THEREOF Epizyme, Inc. 2015-10-08 — — US disclosed
US-9096634-B2 Substituted purine and 7-deazapurine compounds Epizyme, Inc. (US) 2015-08-04 — — US disclosed
US-20140323421-A1 Combination Therapy for Treating Cancer Epizyme, Inc. (US) 2014-10-30 — — US disclosed
US-20140242046-A1 INHIBITION AND ENHANCEMENT OF REPROGRAMMING BY CHROMATIN MODIFYING ENZYMES Childern's Medical Center Corporation (US) 2014-08-28 — — 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-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 (13 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-20150284422-A1 INHIBITORS OF PROTEIN METHYLTRANSFERASE DOT1L AND METHODS OF USE THEREOF DOT1L, PRMT1, CARM1 ALDH1A1 2404/4885SMN1; SMN2 1240/4885HPGD 3999/4885
US-20070088047-A1 21-Heterocyclic-4-azasteroid derivatives as androgen receptor modulators NR5A1, AR, NR3C1 ALDH1A1 1782/4885SMN1; SMN2 2573/4885HPGD 91/4885
US-20190100552-A1 INHIBITORS OF PROTEIN METHYLTRANSFERASE DOT1L AND METHODS OF USE THEREOF DOT1L, PRMT1, CARM1 ALDH1A1 2404/4885SMN1; SMN2 1240/4885HPGD 3999/4885
US-20140323421-A1 Combination Therapy for Treating Cancer DOT1L, ASH1L, CARM1 ALDH1A1 1001/4885SMN1; SMN2 3312/4885HPGD 2239/4885
US-11203592-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use IDO1, IDO2, INMT ALDH1A1 373/4885SMN1; SMN2 4625/4885HPGD 103/4885
US-11337970-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use IDO1, IDO2, INMT ALDH1A1 797/4885SMN1; SMN2 4304/4885HPGD 171/4885
US-20150342979-A1 DOT1L INHIBITORS FOR USE IN THE TREATMENT OF LEUKEMIA DOT1L, CARM1, MCL1 ALDH1A1 1884/4885SMN1; SMN2 1819/4885HPGD 3590/4885
US-20210252035-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS TPMT, DIMT1, DAZAP1 ALDH1A1 592/4885SMN1; SMN2 434/4885HPGD 2991/4885
US-20220144840-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN THE TREATMENT OF AMYLOID-RELATED DISEASES APP, PSEN1, BACE1 ALDH1A1 1906/4885SMN1; SMN2 39/4885HPGD 516/4885
US-20140051654-A1 Substituted Purine and 7-Deazapurine Compounds TPMT, DIMT1, DAZAP1 ALDH1A1 592/4885SMN1; SMN2 434/4885HPGD 2991/4885
US-20210290613-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE IDO1, IDO2, INMT ALDH1A1 797/4885SMN1; SMN2 4304/4885HPGD 171/4885
US-20120142625-A1 Substituted Purine And 7-Deazapurine Compounds TPMT, DIMT1, DAZAP1 ALDH1A1 592/4885SMN1; SMN2 434/4885HPGD 2991/4885
US-20210221806-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE IDO1, IDO2, INMT ALDH1A1 373/4885SMN1; SMN2 4625/4885HPGD 103/4885

“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.

Send feedback