SCHEMBL3759104

SCHEMBL3759104

COc1ccc(Br)c(C(=O)N2CCN(C(=O)C(N)=O)CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.55
MAPK1 P28482 1/20 0.55
CPS1 P31327 3/20 0.53
ALDH1A1 P00352 4/20 0.48
MAPT P10636 2/20 0.48
HTT P42858 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
PKM P14618 1/20 0.48
CYP2C19 P33261 1/20 0.48
GPR6 P46095 1/20 0.46
KDM4E B2RXH2 3/20 0.44
GAA P10253 2/20 0.44
GLA P06280 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44

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
SCHEMBL3765838 0.84 CPS1 (0.58) KMT2AMAPK1CPS1CYP1A2CYP3A4
SCHEMBL3768269 0.83 MGLL (0.52) KMT2AMAPK1ALDH1A1MAPTHTT
SCHEMBL1221923 0.83 KMT2A (0.54) KMT2AMAPK1CPS1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL1221532 0.82 KMT2A (0.53) KMT2AMAPK1CPS1ALDH1A1MAPT
SCHEMBL1515866 0.81 KMT2A (0.55) KMT2AMAPK1CPS1ALDH1A1MAPT
SCHEMBL3757921 0.81 ALDH1A1 (0.41) KMT2AMAPK1ALDH1A1MAPTHTT
SCHEMBL3764223 0.80 HCRTR1 (0.45) MAPK1ALDH1A1SMN1; SMN2KDM4ECA12
SCHEMBL1516226 0.80 KMT2A (0.53) KMT2AMAPK1CPS1ALDH1A1MAPT
SCHEMBL4819447 0.79 KMT2A (0.53) KMT2AMAPK1CPS1ALDH1A1MAPT
SCHEMBL13983665 0.79 KMT2A (0.53) KMT2AMAPK1CPS1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842696-B2 Piperazine derivatives as inhibitors of stearoyl-CoA desaturase FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-30 US claimed
US-20090221583-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-03 US claimed
WO-2008157844-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-12-24 WO claimed
US-7842696-B2 Piperazine derivatives as inhibitors of stearoyl-CoA desaturase FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-30 US disclosed
US-20090221583-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-03 US disclosed
WO-2008157844-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-12-24 WO 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-20090221583-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 KMT2A 1389/4885MAPK1 4118/4885CPS1 138/4885

“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.