SCHEMBL11079536

SCHEMBL11079536

Cc1ccc(C(=O)Nc2ccccc2C(N)=O)cc1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.72
CD274 Q9NZQ7 1/20 0.72
NPC1 O15118 5/20 0.62
RAB9A P51151 5/20 0.62
KMT2A Q03164 4/20 0.59
KDM4E B2RXH2 3/20 0.59
ALDH1A1 P00352 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
MEN1 O00255 2/20 0.59
POLB P06746 2/20 0.59
LMNA P02545 1/20 0.59
NFKB1 P19838 1/20 0.59
NFKB2 Q00653 1/20 0.59
RELA Q04206 1/20 0.59
SIRT2 Q8IXJ6 2/20 0.58
TDP1 Q9NUW8 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
GLA P06280 1/20 0.55
SLC16A3 O15427 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54

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
SCHEMBL786246 0.86 PDCD1 (0.81) PDCD1CD274NPC1RAB9AKMT2A
SCHEMBL8220273 0.86 NPC1 (0.60) PDCD1CD274NPC1RAB9AKMT2A
SCHEMBL9728569 0.86 ALDH1A1 (0.74) PDCD1CD274NPC1RAB9AKMT2A
SCHEMBL29050680 0.85 RAB9A (0.64) NPC1RAB9AKMT2AKDM4EALDH1A1
SCHEMBL15823215 0.85 DHODH (0.73) NPC1RAB9AKMT2AALDH1A1SMN1; SMN2
SCHEMBL23258276 0.85 PDCD1 (0.74) PDCD1CD274NPC1RAB9AKMT2A
SCHEMBL15775304 0.85 PDCD1 (0.74) PDCD1CD274NPC1RAB9AKMT2A
SCHEMBL7302098 0.84 PDCD1 (0.68) PDCD1CD274NPC1RAB9AALDH1A1
SCHEMBL21446872 0.84 PDCD1 (1.00) PDCD1CD274NPC1RAB9AKMT2A
SCHEMBL14252955 0.84 PDCD1 (0.72) PDCD1CD274NPC1RAB9AKMT2A

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-20070197509-A1 Compositions and methods for modulating gated ion channels PAINCEPTOR PHARMA CORPORATION (CA) 2007-08-23 US disclosed
US-20070197509-A1 Compositions and methods for modulating gated ion channels PAINCEPTOR PHARMA CORPORATION (CA) 2007-08-23 US disclosed
US-4431440-A 2-/4-METHYLPHENYL/-4-3H-QUINAZOLINES AS HERBICIDES AND PLANT GROWTH REGULATORS; CEREALS AMERICAN CYANAMID COMPANY (US) 1984-02-14 US disclosed
EP-0058822-A1 Method to alter or control the development and/or life cycle of various plant species AMERICAN CYANAMID COMPANY (US) 1982-09-01 EP disclosed
US-3998951-A Substituted 2-arylquinazolines as fungicides FMC CORPORATION (US) 1976-12-21 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-20070197509-A1 Compositions and methods for modulating gated ion channels KCNN3, KCNN2, HCN3 PDCD1 4803/4885CD274 4823/4885NPC1 1516/4885

“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.