SCHEMBL4882889

SCHEMBL4882889

O=C(Cc1ccccc1)Nc1c(-c2ccccc2)nc2n1CCC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.47
NTRK1 P04629 1/20 0.47
BCHE P06276 2/20 0.44
ACHE P22303 2/20 0.44
KMT2A Q03164 4/20 0.43
ALDH1A1 P00352 3/20 0.43
GAA P10253 2/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
NR4A1 P22736 1/20 0.43
KCNQ2 O43526 1/20 0.43
PKM P14618 1/20 0.43
TP53 P04637 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43
MEN1 O00255 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ELOVL1 Q9BW60 1/20 0.43
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43

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
SCHEMBL4880503 0.92 KCNQ2 (0.47) WDR5NTRK1ALDH1A1GAAKCNQ2
SCHEMBL4882866 0.81 NTRK1 (0.48) NTRK1KMT2AALDH1A1KDM4EMAPT
SCHEMBL24516946 0.77 TP53 (0.47) WDR5KMT2AALDH1A1GAAKDM4E
SCHEMBL4876069 0.76 ALDH1A1 (0.43) NTRK1BCHEACHEKMT2AALDH1A1
SCHEMBL11485609 0.69 TGFBR1 (0.57) WDR5BCHEACHEKMT2AALDH1A1
SCHEMBL22166695 0.68 LMNA (0.45) KMT2AALDH1A1KDM4EPKMTP53
SCHEMBL24449248 0.68 KMT2A (0.57) NTRK1KMT2AALDH1A1GAAKDM4E
SCHEMBL4882676 0.68 ALDH1A1 (0.55) WDR5BCHEACHEKMT2AALDH1A1
SCHEMBL991856 0.68 NPC1 (0.65) WDR5BCHEACHEKMT2AALDH1A1
SCHEMBL14278537 0.66 TGFBR1 (0.52) BCHEACHEKMT2AALDH1A1KDM4E

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 WDR5 4199/4885NTRK1 492/4885BCHE 565/4885

“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.