SCHEMBL6697660

SCHEMBL6697660

COCOc1ccc(Cc2ccccc2C(=O)OC)c([N+](=O)[O-])c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PDGFRB P09619 1/20 0.42
FGFR1 P11362 1/20 0.42
PDGFRA P16234 1/20 0.42
FLT1 P17948 1/20 0.42
FGFR3 P22607 1/20 0.42
KDR P35968 1/20 0.42
AKR1C3 P42330 2/20 0.42
AKR1C2 P52895 2/20 0.42
ADCY10 Q96PN6 1/20 0.40
NPC1 O15118 3/20 0.40
MAPT P10636 3/20 0.40
MAPK1 P28482 3/20 0.40
RAB9A P51151 3/20 0.40
PKM P14618 2/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL6698821 0.89 AKR1C3 (0.53) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL6703941 0.82 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL25666676 0.82 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL6707021 0.81 ALDH1A1 (0.46) ALDH1A1KDM4EADCY10MAPTRAB9A
SCHEMBL5365179 0.79 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4002932 0.78 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL6499184 0.76 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL23242577 0.75 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL29893548 0.75 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL5346355 0.74 MEN1 (0.53) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A

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 408/4885KDM4E 2162/4885

“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.