SCHEMBL4882456

SCHEMBL4882456

O=Cc1cn(Cc2ccccc2)c(-c2ccccc2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 10/20 0.49
ALDH1A1 P00352 5/20 0.43
LMNA P02545 4/20 0.43
GAA P10253 1/20 0.43
CASP3 P42574 1/20 0.43
NR1H3 Q13133 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
RAB9A P51151 2/20 0.42
RECQL P46063 1/20 0.42
PDE6D O43924 1/20 0.42
ALDH2 P05091 1/20 0.42
ALDH3A1 P30838 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
NPC1 O15118 1/20 0.41
IDO1 P14902 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41

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
SCHEMBL1417492 0.83 ALDH1A1 (0.46) BRD4ALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL19937013 0.82 BRD4 (0.76) BRD4
SCHEMBL10332224 0.78 GABRA1 (0.46) BRD4ALDH1A1LMNAGAACASP3
SCHEMBL4882835 0.77 BRD4 (0.45) BRD4GAANR1H3
SCHEMBL4882843 0.77 BRD4 (0.45) BRD4GAANR1H3
SCHEMBL4033449 0.77 CYP19A1 (0.46) BRD4ALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL9786782 0.77 BRD4 (0.63) BRD4ALDH1A1LMNAGAACASP3
SCHEMBL28027825 0.77 BRD4 (0.64) BRD4ALDH1A1LMNAGAACASP3
SCHEMBL16371952 0.76 MAPK1 (0.41) BRD4ALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL28078870 0.76 ALDH1A1 (0.46) BRD4ALDH1A1LMNAGAACASP3

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 BRD4 1776/4885ALDH1A1 1371/4885LMNA 1322/4885

“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.