SCHEMBL1399129

SCHEMBL1399129

O=C(C=CC=Cc1ccccc1[N+](=O)[O-])N1CCN(C2CCCC2)CC1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.61
POLB P06746 4/20 0.57
KMT2A Q03164 3/20 0.55
MAPK1 P28482 4/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
LMNA P02545 3/20 0.53
MEN1 O00255 1/20 0.51
MAPT P10636 6/20 0.48
TDP1 Q9NUW8 3/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MITF O75030 1/20 0.45
GAA P10253 1/20 0.45
THRB P10828 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HPGD P15428 1/20 0.44
HTT P42858 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
SCHEMBL1399127 1.00 ALDH1A1 (0.61) ALDH1A1POLBKMT2AMAPK1L3MBTL1
SCHEMBL1399062 0.99 ALDH1A1 (0.63) ALDH1A1POLBKMT2AMAPK1L3MBTL1
SCHEMBL1399060 0.99 ALDH1A1 (0.63) ALDH1A1POLBKMT2AMAPK1L3MBTL1
SCHEMBL1399063 0.84 KMT2A (0.61) ALDH1A1POLBKMT2AMAPK1L3MBTL1
SCHEMBL1399065 0.84 KMT2A (0.61) ALDH1A1POLBKMT2AMAPK1L3MBTL1
SCHEMBL1399170 0.84 L3MBTL1 (0.61) ALDH1A1POLBL3MBTL1LMNAMAPT
SCHEMBL1399169 0.84 L3MBTL1 (0.61) ALDH1A1POLBL3MBTL1LMNAMAPT
SCHEMBL1399055 0.83 L3MBTL1 (0.60) ALDH1A1POLBL3MBTL1LMNAMAPT
SCHEMBL1399057 0.83 L3MBTL1 (0.60) ALDH1A1POLBL3MBTL1LMNAMAPT
SCHEMBL1399085 0.83 L3MBTL1 (0.60) ALDH1A1POLBL3MBTL1LMNAMAPT

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 6 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-A1 PHENYLPENTADIENOYL DERIVATIVES AND THEIR USE AS PAR 1 ANTAGONISTS Pierre Fabre Medicament (FR) 2009-04-15 EP claimed
WO-2007147822-A1 PHENYLPENTADIENOYL DERIVATIVES AND THEIR USE AS PAR 1 ANTAGONISTS PIERRE FABRE MEDICAMENT (FR) 2007-12-27 WO 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 ALDH1A1 1195/4885POLB 3354/4885KMT2A 4020/4885

“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.