SCHEMBL253427

SCHEMBL253427

CC1CC2CCC1(C(=O)Cl)N2C(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.40
CACNA1G O43497 1/20 0.40
CACNA1H O95180 1/20 0.40
CACNA1I Q9P0X4 1/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
PREP P48147 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL204928 0.79 SMN1; SMN2 (0.48) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL5118035 0.74 SMN1; SMN2 (0.50) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL14609981 0.74 SMN1; SMN2 (0.54) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL26113894 0.73 SMN1; SMN2 (0.49) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL5122115 0.72 SMN1; SMN2 (0.52) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL26115372 0.72 SMN1; SMN2 (0.48) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL5127061 0.71 SMN1; SMN2 (0.47) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL206806 0.71 SMN1; SMN2 (0.47) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL6450664 0.71 DDB1 (0.43) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL16984294 0.70 SMN1; SMN2 (0.59) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19

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-8088760-B2 Benzoxazole carboxamide inhibitors of poly(ADP-ribose)polymerase (PARP) BIOMARIN PHARMACEUTICAL INC. (US) 2012-01-03 US disclosed
EP-2247600-A2 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) Lead Therapeutics, Inc. (US) 2010-11-10 EP disclosed
WO-2009099736-A2 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-08-13 WO disclosed
US-20090197863-A1 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-08-06 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-20090197863-A1 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) PARP1, PARP2, PARP11 HTR2C 2808/4885SMN1; SMN2 1318/4885NPC1 2716/4885

“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.