SCHEMBL4874955

SCHEMBL4874955

Cc1ccc(-n2nc3c(c2NC(=O)Cc2ccccc2)CSC3)cc1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.66
TSHR P16473 4/20 0.62
HSD17B10 Q99714 2/20 0.62
MEN1 O00255 1/20 0.62
ALDH1A1 P00352 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
KMT2A Q03164 1/20 0.62
MAPT P10636 4/20 0.61
POLB P06746 1/20 0.60
THRB P10828 1/20 0.57
USP2 O75604 1/20 0.55
KDM4E B2RXH2 1/20 0.55

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
SCHEMBL4883506 0.90 ENPP2 (0.81) ENPP2TSHRHSD17B10MEN1ALDH1A1
SCHEMBL4877384 0.90 TSHR (0.60) ENPP2TSHRHSD17B10MEN1ALDH1A1
SCHEMBL4882847 0.89 ENPP2 (0.66) ENPP2TSHRKMT2AMAPT
SCHEMBL4872848 0.86 TSHR (0.74) ENPP2TSHRHSD17B10MEN1ALDH1A1
SCHEMBL4870540 0.82 ALDH1A1 (0.69) ENPP2TSHRHSD17B10MEN1ALDH1A1
SCHEMBL4939487 0.81 TSHR (0.61) TSHRHSD17B10MEN1ALDH1A1CYP1A2
SCHEMBL4882885 0.81 TSHR (0.59) TSHRHSD17B10MEN1ALDH1A1CYP1A2
SCHEMBL15715997 0.80 MAPT (0.69) ENPP2TSHRHSD17B10MEN1ALDH1A1
SCHEMBL4874779 0.79 ENPP2 (0.81) ENPP2TSHRMEN1KMT2AMAPT
SCHEMBL4883373 0.79 MAPT (0.59) ENPP2TSHRKMT2AMAPT

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 ENPP2 2226/4885TSHR 214/4885HSD17B10 796/4885

“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.