SCHEMBL1399168

SCHEMBL1399168

N#Cc1ccccc1/C=C/C=C/C(=O)N1CCN(c2ccccn2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.54
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 7/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
MAPT P10636 1/20 0.51
MEN1 O00255 1/20 0.48
GAA P10253 1/20 0.48
ITGB2 P05107 1/20 0.46
ICAM1 P05362 1/20 0.46
ITGAL P20701 1/20 0.46
HSD17B10 Q99714 3/20 0.45
HPGD P15428 2/20 0.45
BACE1 P56817 1/20 0.44
RECQL P46063 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
ADRB2 P07550 1/20 0.44
ABCB1 P08183 1/20 0.44
HTT P42858 1/20 0.44
ABCG2 Q9UNQ0 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
SCHEMBL1399056 1.00 KDM4E (0.54) KDM4EKMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL1399090 0.84 KDM4E (0.57) KDM4EKMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL1399141 0.84 KDM4E (0.64) KDM4EKMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL1399089 0.84 KDM4E (0.57) KDM4EKMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL1399144 0.84 KDM4E (0.64) KDM4EKMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL1399105 0.81 GAA (0.47) KMT2AALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL1399107 0.81 GAA (0.47) KMT2AALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL1399021 0.80 MAPT (0.58) KDM4EKMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL1399022 0.80 MAPT (0.58) KDM4EKMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL1399152 0.78 RAB9A (0.57) KDM4EKMT2AALDH1A1SMN1; SMN2MAPT

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 12 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
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
US-20100003260-A1 PHENYLPENTADIENOYL DERIVATIVES AND THEIR USE AS PAR 1 ANTAGONISTS PIERRE FABRE MEDICAMENT (FR) 2010-01-07 US disclosed
WO-2008155335-A1 PROTEASE ACTIVATED RECEPTOR-1 ANTAGONISTS FOR THE TREATMENT OF ATRIAL FIBRILLATION PIERRE FABRE MEDICAMENT (FR) 2008-12-24 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 KDM4E 4084/4885KMT2A 4020/4885ALDH1A1 1195/4885

“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.