SCHEMBL4879512

SCHEMBL4879512

O=S(=O)(Cc1ccccc1)Nc1c2c(nn1-c1ccc(Cl)cc1)CCCC2

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MALT1 Q9UDY8 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PTGES2 Q9H7Z7 1/20 0.40
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
PTGS1 P23219 4/20 0.40
PTGS2 P35354 3/20 0.40
GABRA1 P14867 3/20 0.39
GABRA2 P47869 3/20 0.39
MAPT P10636 1/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL4881669 0.84 MAPT (0.51) ENPP2KMT2AMAPTPOLB
SCHEMBL4880715 0.77 TSHR (0.56) ENPP2ALDH1A1MALT1MAPK1MAPT
SCHEMBL4880680 0.76 TSHR (0.57) ENPP2ALDH1A1MALT1MAPK1MAPT
SCHEMBL4882017 0.69 ENPP2 (0.60) ENPP2ALDH1A1MEN1MAPK1KMT2A
SCHEMBL10746091 0.68 PTGS2 (0.51) ENPP2PTGS1PTGS2GABRA1GABRA2
SCHEMBL11593125 0.67 PTGS2 (0.54) ENPP2PTGS1PTGS2GABRA1GABRA2
SCHEMBL8132350 0.67 PTGS2 (0.59) KDM4EALDH1A1MEN1KMT2APTGS1
SCHEMBL15716269 0.67 NTRK1 (0.53) ENPP2
SCHEMBL15387625 0.67 USP2 (0.48) ENPP2KDM4EALDH1A1HPGDMAPK1
SCHEMBL4874794 0.67 TP53 (0.50) ENPP2MEN1KMT2AMAPTGAA

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 2226/4885KDM4E 4238/4885ALDH1A1 1371/4885

“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.