SCHEMBL8215974

SCHEMBL8215974

CCCCCc1ccc(C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 11/20 0.64
CASP6 P55212 1/20 0.57
TSHR P16473 2/20 0.56
AGTR1 P30556 1/20 0.56
AGTR2 P50052 1/20 0.56
GAA P10253 1/20 0.55
MAPT P10636 1/20 0.55
PLA2G4B P0C869 1/20 0.54
LMNA P02545 1/20 0.53
PDK1 Q15118 1/20 0.52

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
SCHEMBL9779790 0.99 HCAR3 (0.62) HCAR3CASP6TSHRAGTR1AGTR2
SCHEMBL7575190 0.99 HCAR3 (0.62) HCAR3CASP6TSHRAGTR1AGTR2
SCHEMBL27487118 0.95 HCAR3 (0.63) HCAR3CASP6TSHRAGTR1AGTR2
SCHEMBL6180268 0.89 HCAR3 (0.64) HCAR3CASP6TSHRAGTR1AGTR2
SCHEMBL11748103 0.87 PDK1 (0.55) HCAR3TSHRAGTR1AGTR2GAA
SCHEMBL7402680 0.87 CASP6 (0.58) HCAR3CASP6TSHRLMNA
SCHEMBL20757 0.86 PDK1 (0.68) HCAR3CASP6TSHRLMNAPDK1
SCHEMBL10757957 0.85 HCAR3 (0.58) HCAR3CASP6TSHRAGTR1AGTR2
SCHEMBL7998324 0.85 VCAM1 (0.54) HCAR3MAPTLMNAPDK1
SCHEMBL6476753 0.83 TSHR (0.51) HCAR3CASP6TSHRPLA2G4BLMNA

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
EP-2520570-A1 AMINOPYRIDINE COMPOUND Ube Industries, Ltd. (JP) 2012-11-07 EP disclosed
US-20120259123-A1 AMINOPYRIDINE COMPOUND UBE INDUSTRIES, LTD. (JP) 2012-10-11 US disclosed
WO-2000056707-A1 DIARYL THIOETHERS, COMPOSITIONS AND USES THEREOF SEPRACOR, INC. (US) 2000-09-28 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-20120259123-A1 AMINOPYRIDINE COMPOUND PTGIS, QDPR, PTGIR HCAR3 1424/4885CASP6 4213/4885TSHR 4564/4885

“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.