SCHEMBL15380348

SCHEMBL15380348

CNCc1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 13/20 0.54
KDM1A O60341 1/20 0.53
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 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
Hydrochloric Acid SCHEMBL29159241 0.98 VCAM1 (0.53) VCAM1KDM1AALDH1A1KDM4EPOLB
SCHEMBL15600303 0.85 KDM1A (0.54) VCAM1KDM1AALDH1A1KDM4EPOLB
SCHEMBL811582 0.81 VCAM1 (0.54) VCAM1ALDH1A1KDM4EPOLBMEN1
SCHEMBL11307496 0.80 NPC1 (0.52) VCAM1KDM1AALDH1A1KDM4EPOLB
SCHEMBL1726825 0.80 KDM1A (0.53) VCAM1KDM1AALDH1A1KDM4EPOLB
SCHEMBL4520586 0.79 VCAM1 (0.53) VCAM1KDM1AALDH1A1KDM4EPOLB
SCHEMBL13239653 0.79 VCAM1 (0.50) VCAM1ALDH1A1KDM4EPOLBMEN1
SCHEMBL628112 0.78 PTPRF (0.59) VCAM1KDM1AALDH1A1MEN1KMT2A
SCHEMBL6255897 0.78 VCAM1 (0.46) VCAM1KDM1AALDH1A1KDM4EPOLB
SCHEMBL670827 0.78 HPGD (0.51) VCAM1KDM1AALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8921405-B2 Compounds OREXO AB (SE) 2014-12-30 US disclosed
US-20130303571-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-14 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-20130303571-A1 NEW COMPOUNDS MTX1, LTB4R, RDX VCAM1 1862/4885KDM1A 2774/4885ALDH1A1 1761/4885

“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.