SCHEMBL4882885

SCHEMBL4882885

CCC(C(=O)Nc1c2c(nn1-c1ccc(C)cc1)CSC2)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.59
POLB P06746 3/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
HSD17B10 Q99714 2/20 0.59
ALDH1A1 P00352 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
TP53 P04637 1/20 0.59
MAPT P10636 5/20 0.54
USP2 O75604 1/20 0.53
KDM4E B2RXH2 1/20 0.52
THRB P10828 1/20 0.52

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
SCHEMBL4875036 0.91 TP53 (0.59) TSHRPOLBMEN1KMT2ATP53
SCHEMBL12297946 0.91 KMT2A (0.69) TSHRPOLBMEN1KMT2ATP53
SCHEMBL4881706 0.87 TSHR (0.67) TSHRPOLBMEN1KMT2AHSD17B10
SCHEMBL4881957 0.85 POLB (0.56) POLBMEN1KMT2ATP53MAPT
SCHEMBL4878776 0.83 MAPT (0.62) TSHRPOLBMEN1KMT2AHSD17B10
SCHEMBL4874955 0.81 ENPP2 (0.66) TSHRPOLBMEN1KMT2AHSD17B10
SCHEMBL4877384 0.79 TSHR (0.60) TSHRPOLBMEN1KMT2AHSD17B10
SCHEMBL4939487 0.78 TSHR (0.61) TSHRPOLBMEN1KMT2AHSD17B10
SCHEMBL4881992 0.73 TSHR (0.69) TSHRPOLBMEN1KMT2AHSD17B10
SCHEMBL4883506 0.73 ENPP2 (0.81) TSHRPOLBMEN1KMT2AHSD17B10

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 214/4885POLB 890/4885MEN1 2666/4885

“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.