SCHEMBL194501

SCHEMBL194501

COc1ccc(C(=O)CC(C#N)C#N)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.54
HDAC4 P56524 2/20 0.54
HDAC1 Q13547 2/20 0.54
HDAC7 Q8WUI4 2/20 0.54
HDAC2 Q92769 2/20 0.54
HDAC10 Q969S8 2/20 0.54
HDAC11 Q96DB2 2/20 0.54
HDAC8 Q9BY41 2/20 0.54
HDAC6 Q9UBN7 2/20 0.54
HDAC9 Q9UKV0 2/20 0.54
HDAC5 Q9UQL6 2/20 0.54
GSK3B P49841 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
MAPT P10636 2/20 0.50
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
PDE4B Q07343 1/20 0.49
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
LMNA P02545 2/20 0.47

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
SCHEMBL29815932 0.83 KMT2A (0.66) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28220977 0.83 KMT2A (0.66) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL193893 0.81 ALDH1A1 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL194704 0.80 HDAC3 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8698087 0.80 L3MBTL1 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1156537 0.79 HDAC3 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28727176 0.79 KMT2A (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28221563 0.79 GSK3B (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3830886 0.79 HDAC3 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL31274111 0.77 HDAC3 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12351553-B2 Process for producing 5-aryl-1H-pyrolle-3-carbonitrile compounds by dehalogenation TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2025-07-08 US disclosed
US-20230088365-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-03-23 US disclosed
US-11498898-B2 Process for producing pyrrole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-11-15 US disclosed
CN-114835619-A Process for preparing azole compounds 武田药品工业株式会社 2022-08-02 CN disclosed
EP-3929187-A2 PROCESS FOR PRODUCING PYRROLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2021-12-29 EP disclosed
US-20210070705-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-03-11 US disclosed
US-10844011-B2 Process for producing pyrrole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-11-24 US disclosed
US-20200115336-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2020-04-16 US disclosed
EP-3613734-A2 PROCESS FOR PRODUCING PYRROLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2020-02-26 EP disclosed
US-20190127324-A1 5-ARYL-1H-PYRROLE-3-CARBONITRILE AND A PHARMACEUTICAL PRODUCT USING THE SAME TAKEDA PHARMACEUTICALS CO (JP) 2019-05-02 US disclosed
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF ADAMS JERRY LEROY 2008-11-20 US disclosed
US-7427623-B2 4-Amino-2,3-disubstituted thieno[2,3-d]pyrimidines and pharmacetical compositions thereof SMITHKLINE BEECHAM CORPORATION (US) 2008-09-23 US disclosed
US-20070088031-A1 Novel chemical compounds SMITHKLINE BEECHAM CORPORATION 2007-04-19 US disclosed
US-20070088031-A1 Novel chemical compounds SMITHKLINE BEECHAM CORPORATION 2007-04-19 US disclosed
EP-1689753-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-08-16 EP disclosed
WO-2005061516-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-07-07 WO disclosed
WO-2005061516-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-07-07 WO disclosed
US-20050004142-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2005-01-06 US disclosed
EP-1425284-A2 FURO- AND THIENOPYRIMIDINE DERIVATIVES AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-06-09 EP disclosed
WO-2003022852-A2 FURO-AND THIENOPYRIMIDINE DERIVATIVES AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-03-20 WO 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-20210070705-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND DHPS, STS, HPD HDAC3 1938/4885HDAC4 1277/4885HDAC1 3147/4885
US-20200115336-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND DHPS, STS, HPD HDAC3 1938/4885HDAC4 1277/4885HDAC1 3147/4885
US-12351553-B2 Process for producing 5-aryl-1H-pyrolle-3-carbonitrile compounds by dehalogenation CYP51A1, PAH, HPD HDAC3 1911/4885HDAC4 1879/4885HDAC1 4088/4885
US-20050004142-A1 Chemical compounds TIE1, KDR, TEK HDAC3 3717/4885HDAC4 3401/4885HDAC1 3161/4885
US-20230088365-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND DHPS, STS, HPD HDAC3 1938/4885HDAC4 1277/4885HDAC1 3147/4885
US-11498898-B2 Process for producing pyrrole compound DHPS, STS, HPD HDAC3 1938/4885HDAC4 1277/4885HDAC1 3147/4885
US-20190127324-A1 5-ARYL-1H-PYRROLE-3-CARBONITRILE AND A PHARMACEUTICAL PRODUCT USING THE SAME CYP3A5, CYP3A4, CBR3 HDAC3 1114/4885HDAC4 1005/4885HDAC1 3092/4885
US-10844011-B2 Process for producing pyrrole compound DHPS, STS, HPD HDAC3 1938/4885HDAC4 1277/4885HDAC1 3147/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR HDAC3 4390/4885HDAC4 4110/4885HDAC1 4302/4885
US-20070088031-A1 Novel chemical compounds GSK3B, GSK3A, GSKIP HDAC3 295/4885HDAC4 1079/4885HDAC1 1090/4885

“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.