SCHEMBL3902986

SCHEMBL3902986

O=Cc1cc([N+](=O)[O-])cc(OCc2ccccc2)c1OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 9/20 0.50
MAPT P10636 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP11B1 P15538 2/20 0.50
CYP11B2 P19099 2/20 0.50
PTGES O14684 1/20 0.49
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAOB P27338 1/20 0.45
ALDH1A1 P00352 1/20 0.44
ERN1 O75460 1/20 0.44
HTR1A P08908 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
PPIA P62937 1/20 0.43
CCNB2 O95067 1/20 0.43

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
SCHEMBL9388459 0.87 MEN1 (0.58) CYP19A1MAPTMEN1KMT2ACYP11B1
SCHEMBL27879445 0.87 MAOB (0.45) CYP19A1MAPTMEN1KMT2ACYP11B1
SCHEMBL6926436 0.84 MAPT (0.62) CYP19A1MAPTMEN1KMT2ACYP11B1
SCHEMBL4701157 0.84 MAPT (0.59) CYP19A1MAPTMEN1KMT2ACYP11B1
SCHEMBL8077523 0.82 CYP19A1 (0.55) CYP19A1MAPTMEN1KMT2ACYP11B1
SCHEMBL2858537 0.78 MEN1 (0.55) CYP19A1MAPTMEN1KMT2ACYP11B1
SCHEMBL8144438 0.78 MEN1 (0.55) CYP19A1MAPTMEN1KMT2ACYP11B1
SCHEMBL21071296 0.78 HTR1A (0.55) CYP19A1MAPTMEN1KMT2ACYP11B1
SCHEMBL9386456 0.77 CYP19A1 (0.59) CYP19A1MAPTMEN1KMT2ACYP11B1
SCHEMBL4891360 0.77 MAPT (0.55) CYP19A1MAPTMEN1KMT2ACYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
EP-2017263-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-01-21 EP disclosed
EP-2017263-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-01-21 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-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE S1PR3, S1PR2, S1PR1 CYP19A1 2185/4885MAPT 4806/4885MEN1 1522/4885

“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.