SCHEMBL5526463

SCHEMBL5526463

N#Cc1ccc([N]C=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.45
NOS1 P29475 2/20 0.45
CYP1B1 Q16678 1/20 0.42
CA2 P00918 3/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP2A6 P11509 2/20 0.41
CA12 O43570 1/20 0.41
CA3 P07451 1/20 0.41
CA6 P23280 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA1 P00915 2/20 0.39
TSHR P16473 1/20 0.39
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
FBP1 P09467 1/20 0.37
HDAC2 Q92769 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
MMP3 P08254 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
SCHEMBL5515124 0.75 GLA (0.42) CA2ALDH1A1CA1TSHRKDM4E
SCHEMBL135741 0.74 CYP3A4 (0.52) NOS3NOS1CYP1B1CA2ALDH1A1
SCHEMBL10160323 0.73 NOS3 (0.50) NOS3NOS1CYP1B1CA2ALDH1A1
Formic Acid SCHEMBL27735467 0.72 CA2 (0.57) NOS3NOS1CA2ALDH1A1CYP2A6
SCHEMBL30540402 0.72 CYP1B1 (0.61) NOS3NOS1CYP1B1CA2ALDH1A1
SCHEMBL1054373 0.72 NOS3 (0.54) NOS3NOS1CYP1B1CA2ALDH1A1
SCHEMBL28660260 0.72 CYP1B1 (0.61) NOS3NOS1CYP1B1CA2ALDH1A1
SCHEMBL2503454 0.71 CA2 (0.69) NOS3NOS1CA2ALDH1A1CYP2A6
Water SCHEMBL28254092 0.71 CA2 (0.69) NOS3NOS1CA2ALDH1A1CYP2A6
SCHEMBL45942 0.71 CA2 (0.69) NOS3NOS1CA2ALDH1A1CYP2A6

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
US-7241770-B2 Hydronopol derivatives as agonists on human ORL1 receptors SOLVAY PHARMACEUTICALS GMBH (DE) 2007-07-10 US disclosed
US-20050131004-A1 Hydronopol derivatives as agonists on human ORL1 receptors SOLVAY PHARMACEUTICALS GMBH. 2005-06-16 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-20050131004-A1 Hydronopol derivatives as agonists on human ORL1 receptors OPRL1, ORMDL3, OGFRL1 NOS3 1719/4885NOS1 1299/4885CYP1B1 483/4885

“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.