SCHEMBL4399650

SCHEMBL4399650

NC(=NO)c1ccc(=O)[nH]c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
RAB9A P51151 2/20 0.36
GAA P10253 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 4/20 0.36
EPHX2 P34913 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.34
GFER P55789 1/20 0.34

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
SCHEMBL15505019 1.00 KDM1A (0.39) KDM1AALDH1A1POLBL3MBTL1RAB9A
SCHEMBL2366245 0.77 POLB (0.44) ALDH1A1POLBL3MBTL1RAB9ARECQL
Hydrochloric Acid SCHEMBL30612668 0.75 L3MBTL1 (0.46) ALDH1A1POLBL3MBTL1RAB9AGAA
SCHEMBL4274064 0.73 POLB (0.41) ALDH1A1POLBL3MBTL1RAB9AGAA
SCHEMBL21215222 0.72 KDM1A (0.60) KDM1AALDH1A1POLBL3MBTL1RAB9A
SCHEMBL17184616 0.72 POLB (0.44) ALDH1A1POLBL3MBTL1RAB9AGAA
SCHEMBL4394829 0.71 RECQL (0.39) KDM1AL3MBTL1RAB9AGAARECQL
SCHEMBL872464 0.71 RECQL (0.39) KDM1AL3MBTL1RAB9AGAARECQL
SCHEMBL437592 0.70 TP53 (0.50) ALDH1A1POLBL3MBTL1RAB9AKMT2A
SCHEMBL15592626 0.68 L3MBTL1 (0.44) ALDH1A1POLBL3MBTL1RAB9AKMT2A

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
EP-2888256-A2 HETEROCYCLIC MODULATORS OF HIF ACTIVITY FOR TREATMENT OF DISEASE Board of Regents, The University of Texas System (US) 2015-07-01 EP disclosed
US-20140073634-A1 HETEROCYCLIC MODULATORS OF HIF ACTIVITY FOR TREATMENT OF DISEASE Institute For Applied Cancer Science/The University of Texas MD Anderson Cancer Center (US) 2014-03-13 US disclosed
WO-2014031928-A2 HETEROCYCLIC MODULATORS OF HIF ACTIVITY FOR TREATMENT OF DISEASE JONES PHILIP (US) 2014-02-27 WO disclosed
EP-1959951-B1 HETEROARYL SUBSTITUTED PIPERIDINE DERIVATIVES AS L-CPT1 INHIBITORS HOFFMANN LA ROCHE (CH) 2009-12-23 EP 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-20140073634-A1 HETEROCYCLIC MODULATORS OF HIF ACTIVITY FOR TREATMENT OF DISEASE HIF1AN, HIF1A, EGLN3 KDM1A 1582/4885ALDH1A1 546/4885POLB 1509/4885

“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.