SCHEMBL4501203

SCHEMBL4501203

COc1cccc(C(=O)Nc2ccc(C#N)cc2)c1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
ALDH1A1 P00352 4/20 0.56
RAB9A P51151 4/20 0.54
GAA P10253 1/20 0.53
MAPT P10636 5/20 0.50
MAPK1 P28482 3/20 0.50
HTT P42858 1/20 0.50
LMNA P02545 2/20 0.48
NPC1 O15118 2/20 0.47
TP53 P04637 2/20 0.47
KLKB1 P03952 1/20 0.47
KCNK3 O14649 1/20 0.47
KCNK9 Q9NPC2 1/20 0.47
HPGD P15428 1/20 0.47
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
TAS1R2 Q8TE23 1/20 0.46
JAK2 O60674 1/20 0.45

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
SCHEMBL5221779 0.85 RAB9A (0.65) MEN1KMT2ASMN1; SMN2ALDH1A1RAB9A
SCHEMBL6591553 0.84 MEN1 (0.59) MEN1KMT2ASMN1; SMN2ALDH1A1RAB9A
SCHEMBL14345211 0.84 ALDH1A1 (0.59) MEN1KMT2ASMN1; SMN2ALDH1A1RAB9A
SCHEMBL12700389 0.83 MAPT (0.65) MEN1KMT2ASMN1; SMN2ALDH1A1RAB9A
SCHEMBL18132534 0.81 TAS1R3 (0.51) MEN1KMT2ASMN1; SMN2ALDH1A1RAB9A
SCHEMBL18132529 0.78 TAS1R3 (0.54) KMT2ASMN1; SMN2ALDH1A1RAB9AGAA
SCHEMBL11592283 0.76 HPGD (0.56) MEN1KMT2ASMN1; SMN2ALDH1A1RAB9A
SCHEMBL13163081 0.76 POLB (0.70) KMT2ASMN1; SMN2ALDH1A1RAB9AGAA
SCHEMBL1663714 0.75 MEN1 (0.54) MEN1KMT2ASMN1; SMN2ALDH1A1RAB9A
SCHEMBL15871961 0.75 SMN1; SMN2 (0.61) MEN1KMT2ASMN1; SMN2ALDH1A1RAB9A

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-20090082365-A1 Trisubstituted Quinazolinone Derivatives as Vanilloid Antagonists NOVARTIS AG 2009-03-26 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-20090082365-A1 Trisubstituted Quinazolinone Derivatives as Vanilloid Antagonists TRPV1, TRPV3, TRPV5 MEN1 4252/4885KMT2A 3561/4885SMN1; SMN2 4016/4885

“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.