SCHEMBL1399092

SCHEMBL1399092

O=C(/C=C/C=C/c1ccccc1[N+](=O)[O-])N1CCN(c2ccccc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.61
ALDH1A1 P00352 6/20 0.61
L3MBTL1 Q9Y468 3/20 0.61
HTT P42858 2/20 0.61
MAPK1 P28482 2/20 0.61
TDP1 Q9NUW8 2/20 0.61
LMNA P02545 8/20 0.61
KMT2A Q03164 3/20 0.58
POLB P06746 3/20 0.55
HPGD P15428 1/20 0.54
RAB9A P51151 3/20 0.54
MEN1 O00255 2/20 0.51
ME2 P23368 1/20 0.50
ME1 P48163 1/20 0.50
ME3 Q16798 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.48
GAA P10253 1/20 0.48

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
SCHEMBL1399095 1.00 MAPT (0.61) MAPTALDH1A1L3MBTL1HTTMAPK1
SCHEMBL1399109 0.91 LMNA (0.62) MAPTALDH1A1L3MBTL1HTTMAPK1
SCHEMBL1399108 0.91 LMNA (0.62) MAPTALDH1A1L3MBTL1HTTMAPK1
SCHEMBL1399098 0.89 LMNA (0.56) MAPTALDH1A1L3MBTL1HTTMAPK1
SCHEMBL1399100 0.89 LMNA (0.56) MAPTALDH1A1L3MBTL1HTTMAPK1
SCHEMBL1399022 0.84 MAPT (0.58) MAPTALDH1A1L3MBTL1MAPK1LMNA
SCHEMBL1399021 0.84 MAPT (0.58) MAPTALDH1A1L3MBTL1MAPK1LMNA
SCHEMBL1399127 0.81 ALDH1A1 (0.61) MAPTALDH1A1L3MBTL1HTTMAPK1
SCHEMBL1399129 0.81 ALDH1A1 (0.61) MAPTALDH1A1L3MBTL1HTTMAPK1
SCHEMBL1399171 0.81 LMNA (0.56) MAPTALDH1A1HTTMAPK1LMNA

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 10 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
US-8022064-B2 Phenylpentadienoyl derivatives and their use as PAR 1 antagonists PIERRE FABRE MEDICAMENT (FR) 2011-09-20 US disclosed
US-8022064-B2 Phenylpentadienoyl derivatives and their use as PAR 1 antagonists PIERRE FABRE MEDICAMENT (FR) 2011-09-20 US disclosed
EP-2046748-B1 PHENYLPENTADIENOYL DERIVATIVES AND THEIR USE AS PAR 1 ANTAGONISTS PF MEDICAMENT (FR) 2011-03-02 EP disclosed
EP-2046748-B1 PHENYLPENTADIENOYL DERIVATIVES AND THEIR USE AS PAR 1 ANTAGONISTS PF MEDICAMENT (FR) 2011-03-02 EP disclosed
US-20100003260-A1 PHENYLPENTADIENOYL DERIVATIVES AND THEIR USE AS PAR 1 ANTAGONISTS PIERRE FABRE MEDICAMENT (FR) 2010-01-07 US disclosed
US-20100003260-A1 PHENYLPENTADIENOYL DERIVATIVES AND THEIR USE AS PAR 1 ANTAGONISTS PIERRE FABRE MEDICAMENT (FR) 2010-01-07 US disclosed
WO-2007147822-A1 PHENYLPENTADIENOYL DERIVATIVES AND THEIR USE AS PAR 1 ANTAGONISTS PIERRE FABRE MEDICAMENT (FR) 2007-12-27 WO 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 MAPT 3903/4885ALDH1A1 1195/4885L3MBTL1 2246/4885

“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.