SCHEMBL4175079

SCHEMBL4175079

O=Cc1cnc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.54
XDH P47989 1/20 0.46
ALDH5A1 P51649 1/20 0.46
ABAT P80404 1/20 0.46
ALDH3A1 P30838 2/20 0.43
ALDH1A1 P00352 5/20 0.40
MAPT P10636 4/20 0.40
ALDH1A3 P47895 1/20 0.40
LMNA P02545 2/20 0.39
PIN1 Q13526 3/20 0.37
HPGD P15428 2/20 0.36
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL6384034 0.79 PIN1 (0.38) VCAM1ALDH1A1MAPTLMNAPIN1
SCHEMBL29951203 0.79 XDH (0.46) VCAM1XDHALDH5A1ABATALDH3A1
SCHEMBL27823778 0.79 XDH (0.46) VCAM1XDHALDH5A1ABATALDH3A1
SCHEMBL29956980 0.79 XDH (0.54) VCAM1XDHALDH5A1ABATALDH3A1
SCHEMBL18158923 0.78 VCAM1 (0.46) VCAM1XDHALDH5A1ABATALDH3A1
SCHEMBL801576 0.78 VCAM1 (0.39) VCAM1XDHALDH5A1ABATALDH1A1
SCHEMBL113455 0.77 MAPK1 (0.44) VCAM1ALDH1A1PIN1TSHRMAPK1
SCHEMBL29445407 0.77 MAPK1 (0.44) VCAM1ALDH1A1PIN1TSHRMAPK1
SCHEMBL985995 0.76 AHR (0.51) ALDH1A1MAPTLMNAHPGDHTT
SCHEMBL29780392 0.76 AHR (0.51) ALDH1A1MAPTLMNAHPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137577-A1 HETEROCYCLIC COMPOUNDS PFIZER INC. 2009-05-28 US disclosed
CN-1165535-C Imidazo pyridine derivatives which inhibit gastric acid secretion 2004-09-08 CN disclosed
CN-1307577-A Imidazo pyridine derivatives which inhibit gastric acid secretion ASTRA ZENECA AKTIEBOLAG (SE) 2001-08-08 CN 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-20090137577-A1 HETEROCYCLIC COMPOUNDS CYP2D6, ABCG2, CYP2B6 VCAM1 4723/4885XDH 70/4885ALDH5A1 218/4885

“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.