SCHEMBL1399063

SCHEMBL1399063

O=C(/C=C/C=C/c1ccccc1[N+](=O)[O-])N1CCN(CC2CCCC2)CC1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.61
ALDH1A1 P00352 5/20 0.57
POLB P06746 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.51
MAPK1 P28482 1/20 0.51
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.48
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL1399065 1.00 KMT2A (0.61) KMT2AALDH1A1POLBL3MBTL1MAPK1
SCHEMBL2902111 0.92 ALDH1A1 (0.69) KMT2AALDH1A1POLBL3MBTL1MAPK1
SCHEMBL1399129 0.84 ALDH1A1 (0.61) KMT2AALDH1A1POLBL3MBTL1MAPK1
SCHEMBL1399127 0.84 ALDH1A1 (0.61) KMT2AALDH1A1POLBL3MBTL1MAPK1
SCHEMBL1399060 0.83 ALDH1A1 (0.63) KMT2AALDH1A1POLBL3MBTL1MAPK1
SCHEMBL1399062 0.83 ALDH1A1 (0.63) KMT2AALDH1A1POLBL3MBTL1MAPK1
SCHEMBL1399069 0.80 KMT2A (0.68) KMT2AALDH1A1POLBL3MBTL1MAPK1
SCHEMBL1399067 0.80 KMT2A (0.68) KMT2AALDH1A1POLBL3MBTL1MAPK1
SCHEMBL1399046 0.80 KMT2A (0.62) KMT2AALDH1A1POLBL3MBTL1MAPK1
SCHEMBL1399044 0.80 KMT2A (0.62) KMT2AALDH1A1POLBL3MBTL1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8022064-B2 Phenylpentadienoyl derivatives and their use as PAR 1 antagonists PIERRE FABRE MEDICAMENT (FR) 2011-09-20 US claimed
EP-2046748-B1 PHENYLPENTADIENOYL DERIVATIVES AND THEIR USE AS PAR 1 ANTAGONISTS PF MEDICAMENT (FR) 2011-03-02 EP claimed
US-20100003260-A1 PHENYLPENTADIENOYL DERIVATIVES AND THEIR USE AS PAR 1 ANTAGONISTS PIERRE FABRE MEDICAMENT (FR) 2010-01-07 US claimed
EP-2046748-B1 PHENYLPENTADIENOYL DERIVATIVES AND THEIR USE AS PAR 1 ANTAGONISTS PF MEDICAMENT (FR) 2011-03-02 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-20100003260-A1 PHENYLPENTADIENOYL DERIVATIVES AND THEIR USE AS PAR 1 ANTAGONISTS F2R, F2RL1, FPR1 KMT2A 4020/4885ALDH1A1 1195/4885POLB 3354/4885

“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.