SCHEMBL10153274

SCHEMBL10153274

O=Cc1cc([N+](=O)[O-])ccc1-n1cnc(CO)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
ERN1 O75460 1/20 0.46
TLR2 O60603 5/20 0.40
TLR1 Q15399 5/20 0.40
MAPT P10636 3/20 0.39
POLB P06746 1/20 0.39
HTT P42858 2/20 0.37
AMY1A P0DUB6 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 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
SCHEMBL7886140 0.84 TLR2 (0.45) ALDH1A1TLR2TLR1MAPTPOLB
SCHEMBL3745954 0.82 ALDH1A1 (0.44) ALDH1A1TLR2TLR1MAPTPOLB
SCHEMBL10153120 0.81 ALDH1A1 (0.49) ALDH1A1ERN1TLR2TLR1MAPT
SCHEMBL10153280 0.80 PDE3B (0.34)
SCHEMBL8152746 0.80 ALDH1A1 (0.41) ALDH1A1TLR2TLR1MAPTPOLB
SCHEMBL1041160 0.80 KMT2A (0.45) ALDH1A1TLR2TLR1MAPTPOLB
SCHEMBL1698972 0.76 MAPT (0.52) ALDH1A1TLR2TLR1MAPTPOLB
SCHEMBL11025617 0.74 HTT (0.45) ALDH1A1TLR2TLR1HTTKMT2A
SCHEMBL8135570 0.71 TLR2 (0.39) ALDH1A1TLR2TLR1MAPTPOLB
SCHEMBL9591597 0.71 ALDH1A1 (0.47) ALDH1A1TLR2TLR1MAPTHTT

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-8772504-B2 Substituted benzoxazole, benzimidazole, oxazolopyridine and imidazopyridine derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2014-07-08 US disclosed
US-20120022090-A1 NOVEL SUBSTITUTED BENZOXAZOLE, BENZIMIDAZOLE, OXAZOLOPYRIDINE AND IMIDAZOPYRIDINE DERIVATIVES AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2012-01-26 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-20120022090-A1 NOVEL SUBSTITUTED BENZOXAZOLE, BENZIMIDAZOLE, OXAZOLOPYRIDINE AND IMIDAZOPYRIDINE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, GSAP ALDH1A1 1693/4885ERN1 2394/4885TLR2 4138/4885

“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.