SCHEMBL6703941

SCHEMBL6703941

COC(=O)c1ccccc1Cc1ccc(O)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 6/20 0.46
PDGFRB P09619 1/20 0.46
FGFR1 P11362 1/20 0.46
PDGFRA P16234 1/20 0.46
FLT1 P17948 1/20 0.46
FGFR3 P22607 1/20 0.46
KDR P35968 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 2/20 0.44
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
PDK2 Q15119 1/20 0.42
PDK4 Q16654 1/20 0.42

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
SCHEMBL25666676 0.87 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL6698821 0.86 AKR1C3 (0.53) SMN1; SMN2ALDH1A1PDGFRBFGFR1PDGFRA
SCHEMBL5365179 0.86 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1PDGFRBFGFR1PDGFRA
SCHEMBL6697660 0.82 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1PDGFRBFGFR1PDGFRA
SCHEMBL4002932 0.82 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1PDGFRBFGFR1PDGFRA
SCHEMBL23242577 0.80 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1PDGFRBFGFR1PDGFRA
SCHEMBL29893548 0.80 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1PDGFRBFGFR1PDGFRA
SCHEMBL5346355 0.79 MEN1 (0.53) SMN1; SMN2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL18435 0.78 CA12 (0.59) ALDH1A1PDGFRBFGFR1PDGFRAFLT1
SCHEMBL6699491 0.78 MAPT (0.52) ALDH1A1MEN1KMT2ALMNAMAPK1

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-20040002493-A1 Benzoic acid derivatives and pharmaceutical agents comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2004-01-01 US disclosed
EP-1314719-A1 BENZOIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2003-05-28 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-20040002493-A1 Benzoic acid derivatives and pharmaceutical agents comprising the same as active ingredient PTGER1, PTGER4, PTGES SMN1; SMN2 3341/4885ALDH1A1 408/4885PDGFRB 694/4885

“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.