SCHEMBL4880680

SCHEMBL4880680

O=C(Cc1ccccc1)Nc1c2c(nn1-c1ccc(Cl)cc1)CCC2

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.57
ENPP2 Q13822 4/20 0.53
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
MALT1 Q9UDY8 1/20 0.47
CACNA1G O43497 1/20 0.47
CACNA1H O95180 1/20 0.47
CACNA1I Q9P0X4 1/20 0.47
NTRK1 P04629 3/20 0.46
CDK1 P06493 1/20 0.46
CDK2 P24941 1/20 0.46
MAPK1 P28482 1/20 0.46
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
ALDH1A1 P00352 2/20 0.46

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
SCHEMBL4880715 0.97 TSHR (0.56) TSHRENPP2MAPTSMN1; SMN2MALT1
SCHEMBL4882017 0.88 ENPP2 (0.60) TSHRENPP2MAPTSMN1; SMN2NTRK1
SCHEMBL4882847 0.84 ENPP2 (0.66) TSHRENPP2MAPT
SCHEMBL13858506 0.77 NTRK1 (0.55) ENPP2NTRK1
SCHEMBL4879786 0.76 KMT2A (0.55) TSHRMAPTSMN1; SMN2ALDH1A1
SCHEMBL4879512 0.76 ENPP2 (0.41) ENPP2MAPTMALT1MAPK1ALDH1A1
SCHEMBL13974511 0.75 NTRK1 (0.57) ENPP2NTRK1
SCHEMBL15716269 0.75 NTRK1 (0.53) ENPP2NTRK1
SCHEMBL15727543 0.74 NTRK1 (0.54) NTRK1
SCHEMBL4883373 0.74 MAPT (0.59) TSHRENPP2MAPT

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 4 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 claimed
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 claimed
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 214/4885ENPP2 2226/4885MAPT 2701/4885

“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.