SCHEMBL4881088

SCHEMBL4881088

Cc1ccccc1-n1nc2c(c1NC(=O)Cc1ccc(F)cc1)CSC2

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.73
THRB P10828 1/20 0.73
ENPP2 Q13822 2/20 0.67
POLB P06746 5/20 0.62
MEN1 O00255 5/20 0.62
KMT2A Q03164 5/20 0.62
HSD17B10 Q99714 3/20 0.62
TSHR P16473 3/20 0.56
CYP3A4 P08684 3/20 0.55
CYP2C9 P11712 3/20 0.55
CYP2D6 P10635 2/20 0.55
CYP2C19 P33261 2/20 0.55
CYP1A2 P05177 1/20 0.55
ALDH1A1 P00352 2/20 0.53
FPR1 P21462 1/20 0.53
USP2 O75604 2/20 0.53
RECQL P46063 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
HTT P42858 1/20 0.52
KDM4E B2RXH2 1/20 0.51

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
SCHEMBL4878839 0.92 ENPP2 (0.65) MAPTTHRBENPP2POLBMEN1
SCHEMBL4870540 0.85 ALDH1A1 (0.69) MAPTTHRBENPP2POLBMEN1
SCHEMBL4883506 0.84 ENPP2 (0.81) MAPTENPP2POLBMEN1KMT2A
SCHEMBL4872848 0.82 TSHR (0.74) MAPTTHRBENPP2POLBMEN1
SCHEMBL4878775 0.82 MAPT (0.76) MAPTTHRBPOLBMEN1KMT2A
SCHEMBL4874779 0.80 ENPP2 (0.81) MAPTENPP2POLBMEN1KMT2A
SCHEMBL4881785 0.79 MEN1 (0.69) MAPTENPP2POLBMEN1KMT2A
SCHEMBL4874955 0.78 ENPP2 (0.66) MAPTTHRBENPP2POLBMEN1
SCHEMBL4882742 0.76 POLB (0.67) MAPTTHRBPOLBMEN1KMT2A
SCHEMBL29813896 0.75 CYP3A4 (0.70) MAPTTHRBENPP2POLBMEN1

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-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 MAPT 2701/4885THRB 566/4885ENPP2 2226/4885

“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.