SCHEMBL7370263

SCHEMBL7370263

CN(C(=O)c1ccc([N+](=O)[O-])cc1)c1cccnc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.57
ATM Q13315 1/20 0.53
ALDH1A1 P00352 6/20 0.53
MAPT P10636 5/20 0.53
CYP11B1 P15538 1/20 0.53
CYP11B2 P19099 1/20 0.53
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.47
GAA P10253 1/20 0.47
CYP2D6 P10635 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NAMPT P43490 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
SCHEMBL790254 0.84 ALDH1A1 (0.51) TRPV1ATMALDH1A1MAPTCYP11B1
SCHEMBL791260 0.84 TRPV1 (0.43) TRPV1ATMALDH1A1MAPTCYP11B1
SCHEMBL7379932 0.83 ATM (0.75) ATMALDH1A1MAPTKMT2AKDM4E
SCHEMBL2900922 0.81 MAPT (0.60) TRPV1ATMALDH1A1MAPTKMT2A
SCHEMBL6237453 0.81 KDM4E (0.68) TRPV1ALDH1A1KMT2AKDM4EGAA
SCHEMBL1568901 0.81 ALDH1A1 (0.72) ALDH1A1MAPTCYP11B1CYP11B2KMT2A
SCHEMBL96022 0.80 TRPV1 (0.62) TRPV1KMT2AKDM4EGAA
SCHEMBL7377948 0.80 TRPV1 (0.62) TRPV1KMT2AKDM4E
SCHEMBL790846 0.80 ALDH1A1 (0.46) TRPV1ATMALDH1A1MAPTKMT2A
SCHEMBL12978258 0.79 TRPV1 (0.61) TRPV1KMT2AKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides BAYER CROPSCIENCE AG (DE) 2010-12-02 US disclosed
US-6211242-B1 CARDIOVASCULAR DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-04-03 US disclosed
EP-0757670-B1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 1999-01-13 EP disclosed
EP-0757670-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-02-12 EP disclosed
WO-1995029152-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-11-02 WO 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-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides AAAS, DDT, QDPR TRPV1 2769/4885ATM 1715/4885ALDH1A1 551/4885

“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.