SCHEMBL4882742

SCHEMBL4882742

Cc1cccc(-n2nc3c(c2NC(=O)CCc2ccccc2)CSC3)c1C

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.67
MEN1 O00255 4/20 0.67
KMT2A Q03164 4/20 0.67
ALDH1A1 P00352 4/20 0.67
HSD17B10 Q99714 3/20 0.67
FPR1 P21462 1/20 0.67
MAPT P10636 3/20 0.66
THRB P10828 1/20 0.66
TSHR P16473 4/20 0.61
NPSR1 Q6W5P4 2/20 0.61
USP2 O75604 1/20 0.61
RECQL P46063 1/20 0.61
CYP3A4 P08684 2/20 0.56
CYP2D6 P10635 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C19 P33261 1/20 0.56
KDM4E B2RXH2 1/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL4878775 0.93 MAPT (0.76) POLBMEN1KMT2AALDH1A1HSD17B10
SCHEMBL4870540 0.90 ALDH1A1 (0.69) POLBMEN1KMT2AALDH1A1HSD17B10
SCHEMBL4877384 0.83 TSHR (0.60) POLBMEN1KMT2AALDH1A1HSD17B10
SCHEMBL4878839 0.82 ENPP2 (0.65) POLBMEN1KMT2AALDH1A1HSD17B10
SCHEMBL4878776 0.80 MAPT (0.62) POLBMEN1KMT2AALDH1A1HSD17B10
SCHEMBL4871061 0.80 TSHR (0.58) POLBHSD17B10MAPTTSHRUSP2
SCHEMBL4883373 0.79 MAPT (0.59) KMT2AMAPTTSHR
SCHEMBL4881968 0.78 GAA (0.62) MEN1KMT2AALDH1A1MAPTTHRB
SCHEMBL29583307 0.77 KMT2A (0.69) POLBMEN1KMT2AALDH1A1HSD17B10
SCHEMBL4881088 0.76 MAPT (0.73) POLBMEN1KMT2AALDH1A1HSD17B10

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 POLB 890/4885MEN1 2666/4885KMT2A 3086/4885

“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.