SCHEMBL3345196

SCHEMBL3345196

N#Cc1cc(CCc2ccccc2)sc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.43
MAOA P21397 6/20 0.43
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 3/20 0.41
MAPT P10636 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 3/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALOX15 P16050 2/20 0.41
HTT P42858 2/20 0.41
TSHR P16473 2/20 0.41
BRCA1 P38398 1/20 0.41
CUL4A Q13619 1/20 0.41
GAA P10253 2/20 0.40
GLA P06280 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
ATM Q13315 1/20 0.39
POLB P06746 1/20 0.37

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
SCHEMBL3301918 0.85 ADORA1 (0.46) MAOBMAOAALDH1A1MEN1MAPT
SCHEMBL16690706 0.81 MAOB (0.44) MAOBALDH1A1MEN1MAPTKMT2A
SCHEMBL1974446 0.76 ALDH1A1 (0.38) ALDH1A1MEN1MAPTKMT2AKDM4E
SCHEMBL16689462 0.76 HTR2A (0.45) ALDH1A1KDM4EHPGDHSD17B10ALOX15
SCHEMBL11811716 0.73 ALDH1A1 (0.44) ALDH1A1MEN1MAPTKMT2AKDM4E
SCHEMBL28846698 0.72
SCHEMBL8385915 0.71 MAOB (0.48) MAOBMAOAALDH1A1MEN1MAPT
SCHEMBL23827482 0.71 ALDH1A1 (0.40) ALDH1A1MEN1MAPTKMT2AKDM4E
SCHEMBL23827487 0.71 GAA (0.53) MAOBMAOAALDH1A1MEN1MAPT
SCHEMBL3301233 0.71 ADORA2A (0.47) ALDH1A1MEN1MAPTKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2864312-B1 NOVEL ANTI-CANCER THIOPHENE COMPOUNDS UNIV LEUVEN KATH (BE) 2021-09-22 EP claimed
EP-2864312-B1 NOVEL ANTI-CANCER THIOPHENE COMPOUNDS UNIV LEUVEN KATH (BE) 2021-09-22 EP disclosed
US-9278958-B2 Anti-cancer compounds KATHOLIEKE UNIVERSITEIT LEUVEN K.U. LEUVEN R&D (BE) 2016-03-08 US disclosed
US-9278958-B2 Anti-cancer compounds KATHOLIEKE UNIVERSITEIT LEUVEN K.U. LEUVEN R&D (BE) 2016-03-08 US disclosed
US-20150126559-A1 NOVEL ANTI-CANCER COMPOUNDS UNIVERSITA DEGLI STUDI DI FERRARA (IT) 2015-05-07 US disclosed
US-20150126559-A1 NOVEL ANTI-CANCER COMPOUNDS UNIVERSITA DEGLI STUDI DI FERRARA (IT) 2015-05-07 US disclosed
WO-2010045013-A1 PHENYL SUBSTITUTED THIENO [2,3-D] PYRIMIDINES AND THEIR USE AS ADENOSINE A2A RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2010-04-22 WO disclosed
WO-2010045009-A1 PHENYL AND HETEROARYL SUBSTITUTED THIENO[2,3-d] PYRIMIDINES AND THEIR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2010-04-22 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-20150126559-A1 NOVEL ANTI-CANCER COMPOUNDS ATP5F1A, TP53, ABCF1 MAOB 4113/4885MAOA 3888/4885ALDH1A1 266/4885

“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.