SCHEMBL4040034

SCHEMBL4040034

CCC(CC)C(=O)Nc1sc2c(c1C#N)CCN(Cc1ccc(Oc3ccc(Cl)cc3)cc1)C2

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.56
KMT2A Q03164 7/20 0.56
CRHBP P24387 1/20 0.56
CRHR2 Q13324 1/20 0.56
GAA P10253 3/20 0.53
POLB P06746 1/20 0.53
GCGR P47871 4/20 0.49
ALDH1A1 P00352 4/20 0.48
MAPT P10636 3/20 0.48
KDM4E B2RXH2 2/20 0.48
LMNA P02545 1/20 0.47
TNNI3 P19429 1/20 0.47
TNNT2 P45379 1/20 0.47
TNNC1 P63316 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46

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
SCHEMBL4041711 0.93 MEN1 (0.62) MEN1KMT2ACRHBPCRHR2GAA
SCHEMBL4042346 0.92 MEN1 (0.58) MEN1KMT2ACRHBPCRHR2GAA
SCHEMBL14416099 0.87 KDM4E (0.46) MEN1KMT2ACRHBPCRHR2POLB
SCHEMBL4042006 0.86 MEN1 (0.60) MEN1KMT2ACRHBPCRHR2GAA
SCHEMBL6309474 0.83 MEN1 (0.53) MEN1KMT2ACRHBPCRHR2GAA
SCHEMBL14416108 0.79 KDM4E (0.48) MEN1KMT2ACRHBPCRHR2GAA
SCHEMBL4037149 0.74 MEN1 (0.57) MEN1KMT2APOLBGCGRALDH1A1
SCHEMBL17006408 0.74 KCNH2 (0.72) MEN1KMT2ACRHBPCRHR2GAA
SCHEMBL13963332 0.73 PTPN1 (0.53) MEN1KMT2ACRHBPCRHR2POLB
SCHEMBL4039270 0.73 GCGR (0.54) MEN1KMT2APOLBGCGRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1549655-A4 SUBSTITUTED BICYCLIC THIOPHENE DERIVATIVES, COMPOSTIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO INC (US) 2006-05-31 EP claimed
US-20050239865-A1 Substituted bicyclic thiophene derivatives, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. 2005-10-27 US claimed
EP-1549655-A2 SUBSTITUTED BICYCLIC THIOPHENE DERIVATIVES, COMPOSTIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE Merck & Co., Inc. (US) 2005-07-06 EP claimed
WO-2004024065-A2 SUBSTITUTED BICYCLIC THIOPHENE DERIVATIVES, COMPOSTIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO., INC. (US) 2004-03-25 WO claimed
EP-1549655-B1 SUBSTITUTED BICYCLIC THIOPHENE DERIVATIVES, COMPOSTIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO INC (US) 2009-01-21 EP disclosed
US-7273876-B2 Substituted bicylic thiophene derivatives, compositions containing such compounds and methods of use MERCK & CO., INC. (US) 2007-09-25 US disclosed
US-7273876-B2 Substituted bicylic thiophene derivatives, compositions containing such compounds and methods of use MERCK & CO., INC. (US) 2007-09-25 US disclosed
EP-1549655-A4 SUBSTITUTED BICYCLIC THIOPHENE DERIVATIVES, COMPOSTIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO INC (US) 2006-05-31 EP disclosed
US-20050239865-A1 Substituted bicyclic thiophene derivatives, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. 2005-10-27 US disclosed
EP-1549655-A2 SUBSTITUTED BICYCLIC THIOPHENE DERIVATIVES, COMPOSTIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE Merck & Co., Inc. (US) 2005-07-06 EP disclosed
WO-2004024065-A2 SUBSTITUTED BICYCLIC THIOPHENE DERIVATIVES, COMPOSTIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO., INC. (US) 2004-03-25 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 (1 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-20050239865-A1 Substituted bicyclic thiophene derivatives, compositions containing such compounds and methods of use GLP1R, GCGR, GPR119 MEN1 3106/4885KMT2A 4315/4885CRHBP 332/4885

“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.