SCHEMBL1020745

SCHEMBL1020745

COC(=O)c1ccc(CSc2ccccn2)cc1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.70
MAPT P10636 6/20 0.65
ALDH1A1 P00352 5/20 0.65
HPGD P15428 2/20 0.65
RGS12 O14924 1/20 0.65
RAB9A P51151 7/20 0.64
NPC1 O15118 6/20 0.64
SMN1; SMN2 Q16637 5/20 0.64
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
HDAC1 Q13547 1/20 0.59
GAA P10253 1/20 0.57
PKM P14618 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.54
TSHR P16473 1/20 0.54
MAPK1 P28482 1/20 0.54
TP53 P04637 1/20 0.53
LMNA P02545 2/20 0.52
MAPK10 P53779 1/20 0.52

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
SCHEMBL2302038 0.84 TP53 (0.68) POLBMAPTALDH1A1HPGDRAB9A
SCHEMBL315313 0.82 POLB (1.00) POLBMAPTALDH1A1HPGDRAB9A
SCHEMBL30695503 0.80 HPGD (0.70) POLBMAPTALDH1A1HPGDRGS12
SCHEMBL8816003 0.79 POLB (0.60) POLBMAPTALDH1A1HPGDRGS12
SCHEMBL25223213 0.78 MAPT (0.59) POLBMAPTALDH1A1HPGDRGS12
SCHEMBL6420708 0.78 MAPT (0.59) POLBMAPTALDH1A1HPGDRGS12
SCHEMBL3916950 0.78 RAB9A (0.61) MAPTALDH1A1HPGDRAB9ANPC1
SCHEMBL509956 0.77 PKM (0.59) POLBMAPTALDH1A1HPGDRGS12
SCHEMBL12259207 0.77 RAB9A (0.83) POLBMAPTALDH1A1HPGDRGS12
SCHEMBL19717836 0.76 POLB (0.68) POLBMAPTALDH1A1HPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4409227-A HYPOGLYCEMIC AGENTS THE DOW CHEMICAL CO. (US) 1983-10-11 US claimed
US-20240116872-A1 PYRIDYL INHIBITORS FOR HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2024-04-11 US disclosed
US-20230265054-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2023-08-24 US disclosed
US-20210070707-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2021-03-11 US disclosed
US-20200190030-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2020-06-18 US disclosed
US-20180258043-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2018-09-13 US disclosed
US-20180029984-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2018-02-01 US disclosed
US-9790183-B2 Pyridyl inhibitors of hedgehog signalling GENENTECH, INC. (US) 2017-10-17 US disclosed
US-20170015627-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2017-01-19 US disclosed
US-20160152569-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2016-06-02 US disclosed
WO-2009126863-A2 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2009-10-15 WO disclosed
US-7495022-B2 α,β-unsaturated hydroxamic acid derivatives and their use as histone deacetylase inhibitors SK CHEMICALS CO., LTD. (KR) 2009-02-24 US disclosed
CN-101072755-A Pyridyl inhibitors of Hedgehog signaling GENENTECH INC (US) 2007-11-14 CN disclosed
EP-1789390-A2 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING Genentech, Inc. (US) 2007-05-30 EP disclosed
US-20060063779-A1 Pyridyl inhibitors of hedgehog signalling CURIS ROYALTY LLC 2006-03-23 US disclosed
WO-2006028958-A2 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2006-03-16 WO disclosed
US-20050124679-A1 Alpha, beta-unsaturated hydroxamic acid derivatives and their use as histone deacetylase inhibitors SK CHEMICALS CO., LTD. (KR) 2005-06-09 US disclosed
WO-2003087066-A1 α,β-UNSATURATED HYDROXAMIC ACID DERIVATIVES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS SK CHEMICALS, CO., LTD. (KR) 2003-10-23 WO disclosed
US-4409227-A HYPOGLYCEMIC AGENTS THE DOW CHEMICAL CO. (US) 1983-10-11 US disclosed
US-4325959-A Hypoglycemic 4-(((1,3,4, thiadiazolyl)thio)methyl)benzoic acids, ester and amides THE DOW CHEMICAL COMPANY (US) 1982-04-20 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 (10 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-20200190030-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO POLB 4447/4885MAPT 3822/4885ALDH1A1 2407/4885
US-20160152569-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO POLB 4447/4885MAPT 3822/4885ALDH1A1 2407/4885
US-20230265054-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO POLB 4447/4885MAPT 3822/4885ALDH1A1 2407/4885
US-20240116872-A1 PYRIDYL INHIBITORS FOR HEDGEHOG SIGNALLING SHH, GLI1, SMO POLB 4423/4885MAPT 3696/4885ALDH1A1 2371/4885
US-20180029984-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO POLB 4447/4885MAPT 3822/4885ALDH1A1 2407/4885
US-20210070707-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO POLB 4447/4885MAPT 3822/4885ALDH1A1 2407/4885
US-20180258043-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO POLB 4447/4885MAPT 3822/4885ALDH1A1 2407/4885
US-20170015627-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO POLB 4447/4885MAPT 3822/4885ALDH1A1 2407/4885
US-20060063779-A1 Pyridyl inhibitors of hedgehog signalling SHH, GLI1, SMO POLB 4447/4885MAPT 3822/4885ALDH1A1 2407/4885
US-20050124679-A1 Alpha, beta-unsaturated hydroxamic acid derivatives and their use as histone deacetylase inhibitors HDAC1, HDAC5, HDAC9 POLB 589/4885MAPT 4083/4885ALDH1A1 287/4885

“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.