SCHEMBL4355093

SCHEMBL4355093

N#Cc1ccc(Sc2c[nH]nn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.50
MAOA P21397 9/20 0.50
DHFR P00374 1/20 0.35
TYMS P04818 1/20 0.34
GAA P10253 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CYP2A6 P11509 1/20 0.32
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA3 P07451 1/20 0.32
CA6 P23280 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CYP1A2 P05177 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
MCL1 Q07820 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL23457481 0.95 MAOB (0.46) MAOBMAOADHFRGAACA12
SCHEMBL6839048 0.76 HPGD (0.40) MAOBMAOAALDH1A1CYP1A2NPSR1
SCHEMBL23457507 0.74 HAO1 (0.43) MAOBMAOAALDH1A1CYP1A2NPSR1
SCHEMBL2076795 0.73 GABRA1 (0.42) MAOBGAAHRH3
SCHEMBL3394075 0.72 MAOB (0.81) MAOBMAOADHFRALDH1A1CYP2A6
SCHEMBL1682739 0.72
SCHEMBL23457608 0.70 HAO1 (0.50) ALDH1A1
SCHEMBL23458008 0.68 AHR (0.42) ALDH1A1NPSR1
SCHEMBL23457599 0.68 ALDH1A1 (0.39) GAAALDH1A1NPSR1HRH3
SCHEMBL23457595 0.68 LMNA (0.40) MAOBMAOAALDH1A1CYP2A6NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1899294-B1 THERAPEUTIC AGENTS MERCK SHARP & DOHME (GB) 2015-03-18 EP disclosed
US-20090286765-A1 Therapeutic Agents MERCK SHARP & DOHME (UK) LIMITED (GB) 2009-11-19 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 (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-20090286765-A1 Therapeutic Agents GRIA1, GRIN1, GLRA1 MAOB 767/4885MAOA 790/4885DHFR 1085/4885

“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.