SCHEMBL4881075

SCHEMBL4881075

Cc1cccc(-n2nc3c(c2NC(=O)c2ccc(-c4ccccc4)cc2)CSC3)c1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.65
POLB P06746 2/20 0.65
USP2 O75604 1/20 0.65
KMT2A Q03164 2/20 0.62
ENPP2 Q13822 4/20 0.56
TSHR P16473 3/20 0.56
KDM4E B2RXH2 2/20 0.56
MAPT P10636 1/20 0.56
CYP3A4 P08684 2/20 0.53
CYP2C9 P11712 2/20 0.53
ALDH1A1 P00352 2/20 0.53
MEN1 O00255 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C19 P33261 1/20 0.53
CYP2D6 P10635 1/20 0.52
TP53 P04637 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
SCHEMBL30551701 0.88 HSD17B10 (0.67) HSD17B10POLBUSP2KMT2AENPP2
SCHEMBL4879266 0.87 ENPP2 (0.73) HSD17B10POLBUSP2KMT2AENPP2
SCHEMBL29739746 0.84 ENPP2 (0.68) HSD17B10POLBUSP2KMT2AENPP2
SCHEMBL13413793 0.82 ALDH1A1 (0.64) HSD17B10POLBUSP2KMT2AENPP2
SCHEMBL29893826 0.80 ENPP2 (0.65) HSD17B10POLBUSP2KMT2AENPP2
SCHEMBL29392969 0.79 HTT (0.75) HSD17B10POLBUSP2KMT2ATSHR
SCHEMBL29656984 0.78 ENPP2 (0.71) HSD17B10POLBUSP2KMT2AENPP2
SCHEMBL29816941 0.78 TSHR (0.74) HSD17B10POLBUSP2KMT2AENPP2
SCHEMBL4878792 0.77 ALDH1A1 (0.66) USP2KMT2AENPP2TSHRCYP3A4
SCHEMBL15715997 0.77 MAPT (0.69) HSD17B10POLBKMT2AENPP2TSHR

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 HSD17B10 796/4885POLB 890/4885USP2 4686/4885

“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.