SCHEMBL1399159

SCHEMBL1399159

O=C(C=CC=Cc1c(F)cccc1F)N1CCN(CCCCl)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.53
POLB P06746 1/20 0.45
RAB9A P51151 1/20 0.45
GPR183 P32249 5/20 0.41
F2R P25116 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HPGD P15428 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TEAD3 Q99594 1/20 0.37

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
SCHEMBL1399157 1.00 TDP1 (0.53) TDP1POLBRAB9AGPR183F2R
SCHEMBL1399112 0.87 F2R (0.46) TDP1POLBGPR183F2RMEN1
SCHEMBL1399110 0.87 F2R (0.46) TDP1POLBGPR183F2RMEN1
SCHEMBL1399050 0.81 GPR183 (0.60) TDP1GPR183F2R
SCHEMBL1399048 0.81 GPR183 (0.60) TDP1GPR183F2R
SCHEMBL1399078 0.79 MAPT (0.56) TDP1POLBGPR183F2RMEN1
SCHEMBL1399075 0.79 MAPT (0.56) TDP1POLBGPR183F2RMEN1
SCHEMBL3934180 0.78 TDP1 (0.38) TDP1POLBRAB9AKMT2AGAA
SCHEMBL1399054 0.76 LMNA (0.53) TDP1POLBRAB9AMEN1KMT2A
SCHEMBL1399052 0.76 LMNA (0.53) TDP1POLBRAB9AMEN1KMT2A

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 TDP1 524/4885POLB 3354/4885RAB9A 2764/4885

“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.