SCHEMBL2902111

SCHEMBL2902111

O=C(C=Cc1ccccc1[N+](=O)[O-])N1CCN(CC2CCCCC2)CC1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.69
KMT2A Q03164 3/20 0.69
POLB P06746 3/20 0.62
L3MBTL1 Q9Y468 2/20 0.58
MAPK1 P28482 1/20 0.58
MAPT P10636 2/20 0.57
LMNA P02545 1/20 0.57
MEN1 O00255 1/20 0.55

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
SCHEMBL1399063 0.92 KMT2A (0.61) ALDH1A1KMT2APOLBL3MBTL1MAPK1
SCHEMBL1399065 0.92 KMT2A (0.61) ALDH1A1KMT2APOLBL3MBTL1MAPK1
SCHEMBL2902532 0.84 L3MBTL1 (0.67) ALDH1A1KMT2APOLBL3MBTL1MAPT
SCHEMBL2905408 0.82 C3AR1 (0.56) ALDH1A1KMT2AL3MBTL1MAPTLMNA
SCHEMBL13636224 0.80 KMT2A (0.83) ALDH1A1KMT2APOLBL3MBTL1MAPK1
SCHEMBL10300785 0.80 KMT2A (0.75) ALDH1A1KMT2APOLBL3MBTL1MAPT
SCHEMBL4384009 0.80 KMT2A (0.83) ALDH1A1KMT2APOLBL3MBTL1MAPK1
SCHEMBL3939614 0.80 CYP1A2 (0.49) ALDH1A1KMT2APOLBL3MBTL1MAPK1
SCHEMBL2903542 0.80 F2R (0.61) ALDH1A1KMT2AL3MBTL1MAPTLMNA
SCHEMBL2903541 0.80 F2R (0.61) ALDH1A1KMT2AL3MBTL1MAPTLMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120232097-A1 CINNAMOYL-PIPERAZINE DERIVATIVES AND THEIR USE AS PAR-1 ANTAGONISTS PEREZ MICHEL (FR) 2012-09-13 US claimed
EP-2041104-B1 CINNAMOYL-PIPERAZINE DERIVATIVES AND THEIR USE AS PAR- I ANTAGONISTS PF MEDICAMENT (FR) 2010-08-18 EP claimed
EP-2041104-A1 CINNAMOYL-PIPERAZINE DERIVATIVES AND THEIR USE AS PAR- I ANTAGONISTS Pierre Fabre Medicament (FR) 2009-04-01 EP claimed
WO-2007147824-A1 CINNAMOYL-PIPERAZINE DERIVATIVES AND THEIR USE AS PAR- I ANTAGONISTS PIERRE FABRE MEDICAMENT (FR) 2007-12-27 WO claimed
EP-2041104-B1 CINNAMOYL-PIPERAZINE DERIVATIVES AND THEIR USE AS PAR- I ANTAGONISTS PF MEDICAMENT (FR) 2010-08-18 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-20120232097-A1 CINNAMOYL-PIPERAZINE DERIVATIVES AND THEIR USE AS PAR-1 ANTAGONISTS F2R, F2RL1, F2RL3 ALDH1A1 1137/4885KMT2A 2861/4885POLB 3850/4885

“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.