SCHEMBL4459739

SCHEMBL4459739

COc1ccc(CC(=O)N(C)C(N)=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.53
ALDH1A1 P00352 5/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C19 P33261 1/20 0.53
ALOX5 P09917 2/20 0.51
SIGMAR1 Q99720 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
GAA P10253 1/20 0.50
CTBP2 P56545 1/20 0.47
PKM P14618 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
PARP1 P09874 1/20 0.46
PARP10 Q53GL7 1/20 0.46
PARP2 Q9UGN5 1/20 0.46
PARP4 Q9UKK3 1/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL755827 0.82 HTT (0.59) HTTALDH1A1CYP3A4CYP2C19ALOX5
SCHEMBL2404187 0.81 LMNA (0.52) HTTALDH1A1CYP3A4CYP2C19SMN1; SMN2
SCHEMBL4452220 0.79 RAB9A (0.49) HTTALDH1A1CYP2C19SIGMAR1CTBP2
SCHEMBL1708481 0.79 HTT (0.56) HTTALDH1A1CYP3A4CYP2C19ALOX5
SCHEMBL4462525 0.79 TDP1 (0.56) HTTALDH1A1SMN1; SMN2GAACTBP2
SCHEMBL1067193 0.78 HTT (0.63) HTTALDH1A1CYP3A4CYP2C19SMN1; SMN2
SCHEMBL31116682 0.78 HTT (0.63) HTTALDH1A1CYP3A4CYP2C19SMN1; SMN2
SCHEMBL27640229 0.77 HTT (0.53) HTTALDH1A1CYP3A4CYP2C19ALOX5
SCHEMBL4002523 0.76 ALDH1A1 (0.56) HTTALDH1A1CYP3A4CYP2C19ALOX5
SCHEMBL2405257 0.74 CCR5 (0.62) HTTALDH1A1ALOX5SIGMAR1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090298781-A1 COMPOUNDS FOR THE INHIBITION OF APOPTOSIS CONSEJO SUPERIOR DE (ES) 2009-12-03 US 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-20090298781-A1 COMPOUNDS FOR THE INHIBITION OF APOPTOSIS BAX, BCL2, CASP3 HTT 3489/4885ALDH1A1 1468/4885CYP3A4 1515/4885

“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.