SCHEMBL10165811

SCHEMBL10165811

CCOC(=O)Nc1ccc(C(C)(C)C)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 6/20 0.62
▸ L3MBTL1 Q9Y468 2/20 0.62
▸ MEN1 O00255 2/20 0.62
▸ KMT2A Q03164 2/20 0.62
▸ LMNA P02545 2/20 0.59
▸ MAPT P10636 2/20 0.59
▸ NPC1 O15118 4/20 0.58
▸ RAB9A P51151 4/20 0.58
▸ HPGD P15428 2/20 0.58
▸ CRHBP P24387 1/20 0.58
▸ CRHR2 Q13324 1/20 0.58
▸ TRPV1 Q8NER1 1/20 0.56
▸ ALDH1A1 P00352 2/20 0.52
▸ TSHR P16473 1/20 0.52
▸ RECQL P46063 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ HTT P42858 2/20 0.51
▸ XBP1 P17861 1/20 0.51
▸ MAPK1 P28482 1/20 0.51

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
SCHEMBL28170944 0.90 RAB9A (0.58) SMN1; SMN2L3MBTL1MEN1KMT2ALMNA
SCHEMBL7565510 0.87 RAB9A (0.71) SMN1; SMN2L3MBTL1LMNAMAPTNPC1
SCHEMBL11396210 0.87 RAB9A (0.55) SMN1; SMN2L3MBTL1MEN1KMT2ALMNA
SCHEMBL12049563 0.85 TRPV1 (0.58) SMN1; SMN2L3MBTL1MEN1KMT2ALMNA
SCHEMBL7471768 0.85 MAPT (0.59) SMN1; SMN2L3MBTL1MEN1KMT2ALMNA
SCHEMBL23484018 0.84 RAB9A (0.65) SMN1; SMN2L3MBTL1MEN1KMT2ALMNA
SCHEMBL2054580 0.83 SMN1; SMN2 (0.59) SMN1; SMN2L3MBTL1MEN1KMT2ALMNA
SCHEMBL2054618 0.83 SMN1; SMN2 (0.59) SMN1; SMN2L3MBTL1MEN1KMT2ALMNA
SCHEMBL4290190 0.83 MAPT (0.67) SMN1; SMN2L3MBTL1MEN1KMT2ALMNA
SCHEMBL2054610 0.82 SMN1; SMN2 (0.58) SMN1; SMN2L3MBTL1MEN1KMT2ALMNA

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023016447-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2023-02-16 — — WO disclosed
US-9718796-B2 Substituted benzoazepines as toll-like receptor modulators VENTIRX PHARMACEUTICALS, INC. (US) 2017-08-01 — — US disclosed
US-9718796-B2 Substituted benzoazepines as toll-like receptor modulators VENTIRX PHARMACEUTICALS, INC. (US) 2017-08-01 — — US disclosed
US-20140066432-A1 Substituted Benzoazepines As Toll-Like Receptor Modulators VENTIRX PHARMACEUTICALS, INC. 2014-03-06 — — US disclosed
US-20130211076-A1 Method for preparing substituted N-(3-amino-quinoxalin-2-yl)-sulfonamides and their intermediates N-(3-chloro-quinoxalin-2-yl)-sulfonamides MERCK SERONO S.A. GENEVA (CH) 2013-08-15 — — US disclosed
US-20130211076-A1 Method for preparing substituted N-(3-amino-quinoxalin-2-yl)-sulfonamides and their intermediates N-(3-chloro-quinoxalin-2-yl)-sulfonamides MERCK SERONO S.A. GENEVA (CH) 2013-08-15 — — US disclosed
US-20120077805-A1 UNSOLVATED BENZODIAZEPINE COMPOSITIONS AND METHODS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-03-29 — — US disclosed
US-7994313-B2 Unsolvated benzodiazepine compositions and methods THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-08-09 — — US disclosed
US-20090253686-A1 UNSOLVATED BENZODIAZEPINE COMPOSITIONS AND METHODS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-10-08 — — US disclosed
US-20080293700-A1 Compositions and Methods Relating to Novel Compounds and Targets Thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2008-11-27 — — US disclosed
US-4359584-A Preparation of p-substituted, aromatic amines BASF AKTIENGESELLSCHAFT (DE) 1982-11-16 — — US disclosed
US-4282368-A Preparation of p-substituted aromatic carbamic acid esters BASF AKTIENGESELLSCHAFT (DE) 1981-08-04 — — 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 (5 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-20080293700-A1 Compositions and Methods Relating to Novel Compounds and Targets Thereof BAX, BAD, GABRB3 SMN1; SMN2 3739/4885L3MBTL1 3568/4885MEN1 4503/4885
US-20140066432-A1 Substituted Benzoazepines As Toll-Like Receptor Modulators TLR8, TLR9, TLR1 SMN1; SMN2 3353/4885L3MBTL1 1645/4885MEN1 4661/4885
US-20120077805-A1 UNSOLVATED BENZODIAZEPINE COMPOSITIONS AND METHODS GABRA5, GABRA3, GABRA6 SMN1; SMN2 3140/4885L3MBTL1 4708/4885MEN1 3952/4885
US-20090253686-A1 UNSOLVATED BENZODIAZEPINE COMPOSITIONS AND METHODS GABRA5, GABRA3, GABRA6 SMN1; SMN2 3140/4885L3MBTL1 4708/4885MEN1 3952/4885
US-20130211076-A1 Method for preparing substituted N-(3-amino-quinoxalin-2-yl)-sulfonamides and their intermediates N-(3-chloro-quinoxalin-2-yl)-sulfonamides STS, NQO2, ASNS SMN1; SMN2 1168/4885L3MBTL1 4853/4885MEN1 1802/4885

“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.

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