SCHEMBL5523947

SCHEMBL5523947

Cc1ccc(NC(N)=O)c([N+](=O)[O-])c1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 3/20 0.64
ALDH1A1 P00352 3/20 0.63
NPC1 O15118 6/20 0.59
RAB9A P51151 5/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
GAA P10253 1/20 0.55
KAT2B Q92831 2/20 0.55
LMNA P02545 3/20 0.55
MAPT P10636 1/20 0.53
MAPK1 P28482 1/20 0.53
KMT2A Q03164 1/20 0.53
HTT P42858 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53

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
SCHEMBL11591034 0.87 ALDH1A1 (0.67) KCNMA1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL1704376 0.87 ALDH1A1 (0.71) KCNMA1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5530832 0.86 ALDH1A1 (0.58) KCNMA1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL11879059 0.86 ALDH1A1 (0.58) KCNMA1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL11578632 0.86 ALDH1A1 (0.55) KCNMA1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL1532370 0.85 MAPT (0.66) KCNMA1ALDH1A1NPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL10644315 0.84 ALDH1A1 (0.57) KCNMA1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL10889343 0.84 ALDH1A1 (0.63) KCNMA1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL9690338 0.83 ALDH1A1 (0.78) KCNMA1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL9690346 0.83 ALDH1A1 (0.78) KCNMA1ALDH1A1NPC1RAB9ASMN1; SMN2

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-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof ARENA PHARMACEUTICALS, INC. 2007-01-11 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-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof MCHR1, GPR119, MCHR2 KCNMA1 1655/4885ALDH1A1 2069/4885NPC1 412/4885

“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.