SCHEMBL4872848

SCHEMBL4872848

Cc1ccc(-n2nc3c(c2NC(=O)Cc2ccccc2)CSC3)c(C)c1

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.74
CYP1A2 P05177 1/20 0.74
CYP3A4 P08684 1/20 0.74
CYP2D6 P10635 1/20 0.74
CYP2C9 P11712 1/20 0.74
CYP2C19 P33261 1/20 0.74
HTT P42858 1/20 0.71
ALDH1A1 P00352 6/20 0.67
KDM4E B2RXH2 3/20 0.67
NPSR1 Q6W5P4 1/20 0.67
MAPT P10636 2/20 0.64
THRB P10828 1/20 0.64
HSD17B10 Q99714 4/20 0.62
POLB P06746 4/20 0.62
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
HPGD P15428 2/20 0.62
ENPP2 Q13822 2/20 0.53
FPR1 P21462 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
SCHEMBL4874955 0.86 ENPP2 (0.66) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4870540 0.85 ALDH1A1 (0.69) TSHRCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL29392969 0.85 HTT (0.75) TSHRCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4881088 0.82 MAPT (0.73) TSHRCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL29835096 0.82 HTT (0.74) TSHRCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4881706 0.82 TSHR (0.67) TSHRCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL29739754 0.81 HTT (0.78) TSHRCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4878775 0.80 MAPT (0.76) TSHRCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL29563681 0.80 HTT (0.74) TSHRCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL29739849 0.80 HTT (0.77) TSHRCYP1A2CYP3A4CYP2D6CYP2C9

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 TSHR 214/4885CYP1A2 688/4885CYP3A4 927/4885

“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.