SCHEMBL2054696

SCHEMBL2054696

N#Cc1ccc(Sc2cnn[nH]2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 9/20 0.47
▸ MAOA P21397 8/20 0.47
▸ DHFR P00374 1/20 0.35
▸ TYMS P04818 1/20 0.34
▸ 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
▸ DDB1 Q16531 1/20 0.32
▸ CRBN Q96SW2 1/20 0.32
▸ NOTUM Q6P988 2/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.32
▸ CYP11B2 P19099 1/20 0.32
▸ CYP19A1 P11511 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
SCHEMBL9984775 0.73 CCNB2 (0.42) ALDH1A1CYP2A6CA12CA2CA3
SCHEMBL9868986 0.72 — —
SCHEMBL3394075 0.72 MAOB (0.81) MAOBMAOADHFRALDH1A1CYP2A6
SCHEMBL4355093 0.66 MAOB (0.50) MAOBMAOADHFRTYMSALDH1A1
SCHEMBL2985023 0.65 MAOB (1.00) MAOBMAOADHFRALDH1A1CYP2A6
SCHEMBL1817471 0.64 MAOB (0.54) MAOBMAOAALDH1A1CYP2A6CA12
SCHEMBL8727492 0.63 DHFR (0.48) MAOBMAOADHFRTYMSNOTUM
SCHEMBL2054712 0.63 MAOA (0.44) MAOBMAOADHFRTYMSALDH1A1
SCHEMBL7938298 0.63 MAOB (0.65) MAOBMAOAALDH1A1CYP2A6CA12
SCHEMBL22594593 0.63 MAOB (0.65) MAOBMAOADHFRALDH1A1CYP2A6

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
US-8163956-B2 Inhibitors of GLYT1 transporters MERCK SHARP & DOHME CORP. (US) 2012-04-24 — — US disclosed
US-8163956-B2 Inhibitors of GLYT1 transporters MERCK SHARP & DOHME CORP. (US) 2012-04-24 — — US disclosed
US-20090286765-A1 Therapeutic Agents MERCK SHARP & DOHME (UK) LIMITED (GB) 2009-11-19 — — US 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.

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