SCHEMBL4882878

SCHEMBL4882878

NC(=O)CCc1c[nH]c(-c2ccccc2)n1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.47
CYP1A2 P05177 2/20 0.40
CAPN1 P07384 1/20 0.39
PIN1 Q13526 3/20 0.39
PARP1 P09874 2/20 0.38
ADORA3 P0DMS8 2/20 0.38
ADORA2A P29274 2/20 0.38
MPO P05164 2/20 0.38
CHEK2 O96017 2/20 0.38
LTB4R Q15722 1/20 0.37
MAPK1 P28482 1/20 0.37
CASP1 P29466 1/20 0.37
CYP2C19 P33261 1/20 0.37
IKBKB O14920 1/20 0.37
DHODH Q02127 1/20 0.37
EGFR P00533 1/20 0.36
SRC P12931 1/20 0.36
ADORA1 P30542 1/20 0.36

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
SCHEMBL4880314 0.87 FFAR1 (0.47) NR4A2CYP1A2PARP1ADORA3ADORA2A
SCHEMBL4878258 0.84 ADORA3 (0.38) NR4A2CYP1A2PIN1ADORA3ADORA2A
SCHEMBL27641126 0.80 ALPL (0.41) CYP1A2PIN1ADORA3ADORA2AMAPK1
SCHEMBL1436268 0.80 LOXL2 (0.40) CYP1A2PIN1MPOMAPK1CASP1
SCHEMBL30670275 0.80 MTOR (0.38) CYP1A2PIN1ADORA3ADORA2AMAPK1
SCHEMBL4878314 0.80 MAPT (0.53) ADORA3ADORA2AMAPK1
SCHEMBL7956303 0.79 MAPT (0.50) NR4A2LTB4RMAPK1
SCHEMBL4872569 0.79 HSD17B10 (0.49) CYP1A2PARP1MAPK1CYP2C19
SCHEMBL672597 0.78 NOTUM (0.42) CYP1A2PIN1MAPK1CASP1CYP2C19
Hydrochloric Acid SCHEMBL10410284 0.78 GAA (0.42) NR4A2CYP1A2PIN1MAPK1CASP1

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-20080249154-A1 Preventive and/or Therapeutic Agent For Disease In Which Mitochondrial Benzodiazephine Receptor Participates ONO PHARMACEUTICAL CO., LTD. (JP) 2008-10-09 US disclosed
US-20080249154-A1 Preventive and/or Therapeutic Agent For Disease In Which Mitochondrial Benzodiazephine Receptor Participates ONO PHARMACEUTICAL CO., LTD. (JP) 2008-10-09 US disclosed
US-20080249154-A1 Preventive and/or Therapeutic Agent For Disease In Which Mitochondrial Benzodiazephine Receptor Participates ONO PHARMACEUTICAL CO., LTD. (JP) 2008-10-09 US disclosed
EP-1698335-A1 PREVENTIVE AND/OR THERAPEUTIC AGENT FOR DISEASE IN WHICH MITOCHONDRIAL BENZODIAZEPINE RECEPTOR PARTICIPATES ONO PHARMACEUTICAL CO., LTD. (JP) 2006-09-06 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-20080249154-A1 Preventive and/or Therapeutic Agent For Disease In Which Mitochondrial Benzodiazephine Receptor Participates MTNR1A, GSR, NLN NR4A2 693/4885CYP1A2 688/4885CAPN1 3076/4885

“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.