SCHEMBL13063629

SCHEMBL13063629

N#Cc1ccc(Cl)cc1N=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 1/20 0.49
▸ CYP2A6 P11509 1/20 0.44
▸ MAOA P21397 2/20 0.42
▸ MAOB P27338 2/20 0.42
▸ GPR35 Q9HC97 1/20 0.41
▸ TRPV4 Q9HBA0 1/20 0.38
▸ KDM4E B2RXH2 7/20 0.38
▸ MCL1 Q07820 1/20 0.38
▸ ALDH1A1 P00352 6/20 0.37
▸ GAA P10253 4/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ AR P10275 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ CHEK1 O14757 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ HTT P42858 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL21159847 0.78 MAOB (0.34) VCAM1MAOAMAOBTRPV4ALDH1A1
SCHEMBL10712290 0.77 VCAM1 (0.42) VCAM1CYP2A6MAOAMAOBGPR35
SCHEMBL13667299 0.76 LMNA (0.45) MAOAMAOBGPR35TRPV4KDM4E
SCHEMBL13361828 0.76 TRPV4 (0.38) MAOAMAOBTRPV4KDM4EALDH1A1
SCHEMBL14691380 0.76 VCAM1 (0.41) VCAM1CYP2A6MAOAMAOBGPR35
SCHEMBL7050401 0.73 MAOA (0.61) VCAM1CYP2A6MAOAMAOBGPR35
SCHEMBL31441456 0.73 MAOA (0.61) VCAM1CYP2A6MAOAMAOBGPR35
SCHEMBL28199574 0.73 TP53 (0.38) CYP2A6KDM4EALDH1A1GAAMEN1
SCHEMBL21100112 0.72 ALDH1A1 (0.36) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL13078047 0.72 KDM4E (0.46) MAOBKDM4EALDH1A1GAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100331293-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-30 — — 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-20100331293-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, MALT1, BCL9 VCAM1 1681/4885CYP2A6 2815/4885MAOA 3160/4885

“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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