SCHEMBL1399100

SCHEMBL1399100

O=C(C=CC=Cc1ccccc1[N+](=O)[O-])N1CCN(c2cccc(Cl)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 8/20 0.56
SMN1; SMN2 Q16637 6/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
RAB9A P51151 1/20 0.56
ALDH1A1 P00352 8/20 0.55
MAPT P10636 7/20 0.54
HTT P42858 4/20 0.54
HPGD P15428 1/20 0.54
KMT2A Q03164 2/20 0.53
KDM4E B2RXH2 1/20 0.52
MAPK1 P28482 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
POLB P06746 1/20 0.49

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
SCHEMBL1399098 1.00 LMNA (0.56) LMNASMN1; SMN2L3MBTL1RAB9AALDH1A1
SCHEMBL1399095 0.89 MAPT (0.61) LMNASMN1; SMN2L3MBTL1RAB9AALDH1A1
SCHEMBL1399092 0.89 MAPT (0.61) LMNASMN1; SMN2L3MBTL1RAB9AALDH1A1
SCHEMBL1399109 0.83 LMNA (0.62) LMNASMN1; SMN2L3MBTL1ALDH1A1MAPT
SCHEMBL1399108 0.83 LMNA (0.62) LMNASMN1; SMN2L3MBTL1ALDH1A1MAPT
SCHEMBL1399153 0.80 RAB9A (0.57) SMN1; SMN2L3MBTL1RAB9AALDH1A1MAPT
SCHEMBL1399152 0.80 RAB9A (0.57) SMN1; SMN2L3MBTL1RAB9AALDH1A1MAPT
SCHEMBL1399021 0.78 MAPT (0.58) LMNASMN1; SMN2L3MBTL1RAB9AALDH1A1
SCHEMBL1399022 0.78 MAPT (0.58) LMNASMN1; SMN2L3MBTL1RAB9AALDH1A1
SCHEMBL3932252 0.78 ALDH1A1 (0.49) LMNASMN1; SMN2L3MBTL1ALDH1A1MAPT

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 LMNA 2919/4885SMN1; SMN2 4562/4885L3MBTL1 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.