SCHEMBL1399141

SCHEMBL1399141

O=C(/C=C/C=C/c1ccccc1Cl)N1CCN(c2ccccn2)CC1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.64
ALDH1A1 P00352 7/20 0.57
HPGD P15428 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
HSD17B10 Q99714 2/20 0.57
MAPT P10636 3/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
ITGB2 P05107 1/20 0.55
ICAM1 P05362 1/20 0.55
ITGAL P20701 1/20 0.55
KMT2A Q03164 3/20 0.54
GAA P10253 2/20 0.54
MEN1 O00255 1/20 0.51

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
SCHEMBL1399144 1.00 KDM4E (0.64) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL1399090 0.86 KDM4E (0.57) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL1399089 0.86 KDM4E (0.57) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL1399022 0.85 MAPT (0.58) KDM4EALDH1A1SMN1; SMN2MAPTL3MBTL1
SCHEMBL1399021 0.85 MAPT (0.58) KDM4EALDH1A1SMN1; SMN2MAPTL3MBTL1
SCHEMBL1399056 0.84 KDM4E (0.54) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL1399168 0.84 KDM4E (0.54) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL1399075 0.76 MAPT (0.56) ALDH1A1MAPTL3MBTL1KMT2AMEN1
SCHEMBL1399078 0.76 MAPT (0.56) ALDH1A1MAPTL3MBTL1KMT2AMEN1
SCHEMBL14562620 0.76 ALDH1A1 (0.64) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10

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 KDM4E 4084/4885ALDH1A1 1195/4885HPGD 217/4885

“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.