SCHEMBL13757702

SCHEMBL13757702

CC(=O)Nc1cccc2c(C(C)C)cccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 1/20 0.55
RXFP1 Q9HBX9 1/20 0.51
KMT2A Q03164 3/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAOA P21397 1/20 0.45
CYP2D6 P10635 1/20 0.45
GPR35 Q9HC97 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
GAA P10253 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAPK1 P28482 1/20 0.44
SIGMAR1 Q99720 1/20 0.43
POLB P06746 1/20 0.43
CASP6 P55212 1/20 0.43

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
SCHEMBL1900214 0.85 RXFP1 (0.66) PARP14RXFP1KMT2AMEN1ALDH1A1
SCHEMBL757161 0.82 MAPT (0.57) PARP14KMT2AALDH1A1HPGDMAPT
SCHEMBL6409275 0.81 ALDH1A1 (0.52) PARP14KMT2AMEN1ALDH1A1HPGD
SCHEMBL29191666 0.81 PARP14 (0.49) PARP14KMT2AMEN1ALDH1A1HPGD
SCHEMBL1805658 0.80 RXFP1 (0.56) PARP14RXFP1KMT2AMEN1ALDH1A1
SCHEMBL21387943 0.78 RXFP1 (0.58) PARP14RXFP1KMT2AMEN1ALDH1A1
SCHEMBL8923243 0.77 ALDH1A1 (0.66) PARP14RXFP1KMT2AMEN1ALDH1A1
SCHEMBL1122552 0.77 TRPV1 (0.58) PARP14RXFP1KMT2AMEN1ALDH1A1
SCHEMBL22819545 0.76 RXFP1 (0.49) PARP14RXFP1KMT2AMEN1ALDH1A1
SCHEMBL10094334 0.76 PARP14 (0.62) PARP14KMT2AALDH1A1HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090209528-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUND, THEIR PREPARATION AND USE IN MEDICAMENTS LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2009-08-20 US disclosed
US-20090209528-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUND, THEIR PREPARATION AND USE IN MEDICAMENTS LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2009-08-20 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-20090209528-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUND, THEIR PREPARATION AND USE IN MEDICAMENTS HTR6, HTR5A, HTR7 PARP14 1379/4885RXFP1 1726/4885KMT2A 2232/4885

“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.