SCHEMBL1399142

SCHEMBL1399142

O=C(C=CC=Cc1ccccc1[N+](=O)[O-])N1CCN(Cc2ccc(F)cc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2R P25116 1/20 0.64
KMT2A Q03164 2/20 0.60
GPR183 P32249 1/20 0.59
ALDH1A1 P00352 6/20 0.55
LMNA P02545 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.53
MAPT P10636 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
MAPK1 P28482 1/20 0.53
HTT P42858 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
POLB P06746 2/20 0.51
PKM P14618 1/20 0.50

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
SCHEMBL1399140 1.00 F2R (0.64) F2RKMT2AGPR183ALDH1A1LMNA
SCHEMBL2908215 0.93 F2R (0.74) F2RKMT2AGPR183ALDH1A1LMNA
SCHEMBL1399108 0.85 LMNA (0.62) KMT2AALDH1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL1399109 0.85 LMNA (0.62) KMT2AALDH1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL1399120 0.84 KMT2A (0.58) F2RKMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL1399118 0.84 KMT2A (0.58) F2RKMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL10300785 0.84 KMT2A (0.75) F2RKMT2AGPR183ALDH1A1LMNA
SCHEMBL2903289 0.83 KMT2A (0.71) F2RKMT2AGPR183ALDH1A1LMNA
SCHEMBL2910362 0.82 KMT2A (0.72) F2RKMT2AGPR183ALDH1A1LMNA
SCHEMBL2903475 0.82 KMT2A (0.66) F2RKMT2AGPR183ALDH1A1LMNA

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 F2R 1/4885KMT2A 4020/4885GPR183 677/4885

“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.