SCHEMBL20550872

SCHEMBL20550872

Cn1nc(C(F)F)c(C(=O)O)c1N

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 5/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PTGER2 P43116 1/20 0.32

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
SCHEMBL20551696 0.84 ALDH1A1 (0.33) MEN1KMT2A
SCHEMBL15165797 0.80 PTGER4 (0.35) PTGER4MEN1KMT2APTGER2
SCHEMBL437422 0.80 PTGER4 (0.37) PTGER4MEN1KMT2APTGER2
SCHEMBL3401329 0.80 KDM4E (0.40) PTGER4MEN1KMT2APTGER2
SCHEMBL437373 0.79 L3MBTL1 (0.40) PTGER4MEN1KMT2A
SCHEMBL20996474 0.79 PTGER4 (0.34) PTGER4MEN1KMT2APTGER2
Hydrochloric Acid SCHEMBL28753862 0.79 PTGER4 (0.37) PTGER4MEN1KMT2APTGER2
SCHEMBL20552350 0.78 MAPT (0.42) MEN1KMT2A
SCHEMBL3401045 0.76 PTGER4 (0.33) PTGER4MEN1KMT2APTGER2
SCHEMBL15158194 0.76 PTGER4 (0.37) PTGER4MEN1KMT2APTGER2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200247800-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2020-08-06 US disclosed
CN-110914263-A Substituted bicyclic heterocyclic compounds as NADPH oxidase inhibitors 格兰马克药品股份有限公司 2020-03-24 CN disclosed
EP-3619209-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS Glenmark Pharmaceuticals S.A. (CH) 2020-03-11 EP disclosed
WO-2018203298-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2018-11-08 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-20200247800-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS NOX1, CYBB, NOX4 PTGER4 1507/4885MEN1 4712/4885KMT2A 3820/4885

“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.