SCHEMBL4880503

SCHEMBL4880503

O=C(Cc1ccc(F)cc1)Nc1c(-c2ccccc2)nc2n1CCC2

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 1/20 0.47
NTRK1 P04629 1/20 0.46
MAPK14 Q16539 4/20 0.44
TGFBR1 P36897 2/20 0.43
WDR5 P61964 1/20 0.42
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 1/20 0.41
SIGMAR1 Q99720 2/20 0.41
CSNK1D P48730 4/20 0.41
CSNK1E P49674 4/20 0.41
ALDH1A1 P00352 1/20 0.41
RAB9A P51151 1/20 0.41
TGFBR2 P37173 1/20 0.40

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
SCHEMBL4882889 0.92 WDR5 (0.47) KCNQ2NTRK1WDR5SMN1; SMN2GAA
SCHEMBL4882866 0.76 NTRK1 (0.48) NTRK1LMNASMN1; SMN2ALDH1A1RAB9A
SCHEMBL24516946 0.72 TP53 (0.47) WDR5LMNASMN1; SMN2GAAALDH1A1
SCHEMBL4876069 0.70 ALDH1A1 (0.43) NTRK1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL12839310 0.69 CYP1A2 (0.43) KCNQ2MAPK14LMNASMN1; SMN2GAA
SCHEMBL10977876 0.66 GAA (0.83) SMN1; SMN2GAAALDH1A1RAB9A
SCHEMBL9436258 0.66 TGFBR1 (0.69) MAPK14TGFBR1SMN1; SMN2CSNK1DCSNK1E
SCHEMBL13200785 0.65 MAPK14 (0.54) NTRK1MAPK14LMNASMN1; SMN2GAA
SCHEMBL1051059 0.65 KCNH2 (0.59) TGFBR1LMNAGAA
SCHEMBL12952282 0.65 KCNH2 (0.72)

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 KCNQ2 1443/4885NTRK1 492/4885MAPK14 2884/4885

“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.