SCHEMBL12138136

SCHEMBL12138136

Cc1nc(C(C)(C)C)c(C(C)(C)C)s1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
MAPT P10636 2/20 0.31
COMT P21964 1/20 0.31
ALDH1A1 P00352 2/20 0.30
HPGD P15428 2/20 0.30
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
PKM P14618 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL802242 0.84 COMT (0.42) KMT2AMAPTCOMTALDH1A1
SCHEMBL7803359 0.77 COMT (0.32) KMT2AMAPTCOMTALDH1A1HPGD
SCHEMBL2732554 0.77 KMT2A (0.56) KMT2AMAPTCOMTALDH1A1HPGD
SCHEMBL6899340 0.75 KMT2A (0.34) KMT2A
SCHEMBL24417705 0.73 ALDH1A1 (0.43) KMT2AMAPTALDH1A1HPGDHSD17B10
SCHEMBL21720446 0.73 ALDH1A1 (0.32) MAPTCOMTALDH1A1
SCHEMBL21718752 0.73 MAPT (0.30) MAPTCOMT
SCHEMBL21720478 0.73 KMT2A (0.38) KMT2A
SCHEMBL21720319 0.73 KMT2A (0.38) KMT2A
SCHEMBL10280655 0.73 COMT (0.30) COMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230355593-A1 N-methyl-D-aspartic Acid Receptor Modulators UNIV EMORY (US) 2023-11-09 US disclosed
US-20230355593-A1 N-methyl-D-aspartic Acid Receptor Modulators UNIV EMORY (US) 2023-11-09 US disclosed
US-11738008-B2 N-methyl-D-aspartic acid receptor modulators EMORY UNIVERSITY (US) 2023-08-29 US disclosed
US-11738008-B2 N-methyl-D-aspartic acid receptor modulators EMORY UNIVERSITY (US) 2023-08-29 US disclosed
US-20230174538-A1 Tricyclic heterocycles MERCK PATENT GMBH (DE) 2023-06-08 US disclosed
US-20220143042-A1 FUSED GLYCOSIDASE INHIBITORS ASCENEURON SA (CH) 2022-05-12 US disclosed
US-20210361631-A1 N-methyl-D-aspartic Acid Receptor Modulators UNIV EMORY (US) 2021-11-25 US disclosed
US-9920044-B2 Selective androgen receptor modulators RADIUS PHARMACEUTICALS, INC. (US) 2018-03-20 US disclosed
US-20150322059-A1 SELECTIVE ANDROGEN RECEPTOR MODULATORS RADIUS HEALTH, INC. 2015-11-12 US disclosed
US-9133182-B2 Selective androgen receptor modulators RADIUS HEALTH, INC. (US) 2015-09-15 US disclosed
US-20130085147-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 US disclosed
US-8362020-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 US disclosed
US-8268872-B2 Selective androgen receptor modulators RADIUS HEALTH, INC. (US) 2012-09-18 US disclosed
US-20110306589-A1 NITROGEN CONTAINING HETEROARYL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2011-12-15 US disclosed
US-20110294819-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-12-01 US disclosed
US-8067448-B2 Selective androgen receptor modulators RADIUS HEALTH, INC. (US) 2011-11-29 US disclosed
US-20110224267-A1 Selective androgen receptor modulators Radius Health,Inc. (US) 2011-09-15 US disclosed
US-20110071142-A1 IDENTIFICATION AND USE OF SMALL MOLECULES TO MODULATE TRANSCRIPTION FACTOR FUNCTION AND TO TREAT TRANSCRIPTION FACTOR ASSOCIATED DISEASES BETH ISRAEL DEACONESS MEDICAL CENTER (US) 2011-03-24 US disclosed
US-20090253758-A1 Selective androgen receptor modulators ELLIPSES PHARMA LTD (GB) 2009-10-08 US disclosed
US-20070244133-A1 Thienopyrimidines and Thiazolopyrimidines for Use in Medicine ASTRAZENECA AB (SE) 2007-10-18 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-20150322059-A1 SELECTIVE ANDROGEN RECEPTOR MODULATORS AR, SHBG, GPR119 KMT2A 2620/4885MAPT 2495/4885COMT 3278/4885
US-20110294819-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 KMT2A 3866/4885MAPT 2725/4885COMT 3189/4885
US-20130085147-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 KMT2A 3866/4885MAPT 2725/4885COMT 3189/4885
US-20110224267-A1 Selective androgen receptor modulators AR, SHBG, GPR119 KMT2A 3195/4885MAPT 2594/4885COMT 3674/4885
US-20220143042-A1 FUSED GLYCOSIDASE INHIBITORS BACE1, ENGASE, GBA3 KMT2A 1592/4885MAPT 34/4885COMT 265/4885
US-20210361631-A1 N-methyl-D-aspartic Acid Receptor Modulators GRIN1, GRIN2A, GRM1 KMT2A 907/4885MAPT 357/4885COMT 546/4885
US-20110306589-A1 NITROGEN CONTAINING HETEROARYL COMPOUNDS PDE10A, PDE3A, PDE2A KMT2A 2177/4885MAPT 4100/4885COMT 858/4885
US-20230355593-A1 N-methyl-D-aspartic Acid Receptor Modulators GRIN1, GRIN2A, GRM1 KMT2A 839/4885MAPT 347/4885COMT 524/4885
US-20070244133-A1 Thienopyrimidines and Thiazolopyrimidines for Use in Medicine CXCR4, CXCR1, CXCR3 KMT2A 4292/4885MAPT 3808/4885COMT 3810/4885
US-20230174538-A1 Tricyclic heterocycles YAP1, TEAD1, TERF2IP KMT2A 2680/4885MAPT 2572/4885COMT 4612/4885
US-20110071142-A1 IDENTIFICATION AND USE OF SMALL MOLECULES TO MODULATE TRANSCRIPTION FACTOR FUNCTION AND TO TREAT TRANSCRIPTION FACTOR ASSOCIATED DISEASES CREBBP, TEAD1, SREBF1 KMT2A 1636/4885MAPT 3850/4885COMT 3944/4885
US-11738008-B2 N-methyl-D-aspartic acid receptor modulators GRIN1, GRIN2A, GRM1 KMT2A 907/4885MAPT 357/4885COMT 546/4885
US-20090253758-A1 Selective androgen receptor modulators AR, SHBG, GPR119 KMT2A 3195/4885MAPT 2594/4885COMT 3674/4885

“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.