SCHEMBL4037869

SCHEMBL4037869

N#Cc1c(N)sc2c1CCCN2C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 3/20 0.46
MAPT P10636 9/20 0.45
ALDH1A1 P00352 9/20 0.45
GAA P10253 6/20 0.45
HSD17B10 Q99714 5/20 0.45
ALOX15 P16050 3/20 0.45
MAPK1 P28482 2/20 0.45
MEN1 O00255 7/20 0.44
KMT2A Q03164 7/20 0.44
CASP1 P29466 3/20 0.44
POLB P06746 2/20 0.44
PABPC1 P11940 1/20 0.44
HPGD P15428 6/20 0.43
KDM4E B2RXH2 6/20 0.43
TDP1 Q9NUW8 2/20 0.43
RECQL P46063 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KRAS P01116 1/20 0.39
CASP7 P55210 2/20 0.38
PTK2B Q14289 1/20 0.38

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
SCHEMBL14408979 0.81 MAPT (0.43) BPTFMAPTALDH1A1GAAHSD17B10
SCHEMBL4040868 0.72 GCGR (0.48) ALDH1A1GAAMEN1KMT2APOLB
SCHEMBL4035961 0.69 BPTF (0.78) BPTFMAPTALDH1A1GAAHSD17B10
SCHEMBL3765697 0.66 BPTF (0.54) BPTFMAPTALDH1A1GAAHSD17B10
SCHEMBL1514467 0.64 BPTF (0.92) BPTFMAPTALDH1A1GAAHSD17B10
SCHEMBL620749 0.64 BPTF (1.00) BPTFMAPTALDH1A1GAAHSD17B10
SCHEMBL21605422 0.64 MAPT (0.64) BPTFMAPTALDH1A1GAAHSD17B10
SCHEMBL31381502 0.63 BPTF (0.96) BPTFMAPTALDH1A1GAAHSD17B10
SCHEMBL1719516 0.63 ALDH1A1 (1.00) BPTFMAPTALDH1A1GAAHSD17B10
SCHEMBL3421133 0.62 BPTF (1.00) BPTFMAPTALDH1A1GAAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20050239865-A1 Substituted bicyclic thiophene derivatives, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. 2005-10-27 US disclosed
WO-1993013104-A1 C.N.S. ACTIVE TRICYCLIC THIENOPYRIDINE DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 1993-07-08 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 BPTF 3764/4885MAPT 4485/4885ALDH1A1 4206/4885

“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.