SCHEMBL4882843

SCHEMBL4882843

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

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 10/20 0.45
L3MBTL1 Q9Y468 1/20 0.39
TBXAS1 P24557 2/20 0.39
SERPINE1 P05121 1/20 0.39
CYP19A1 P11511 1/20 0.38
NOTUM Q6P988 1/20 0.37
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
TSHR P16473 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36

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
SCHEMBL4882835 1.00 BRD4 (0.45) BRD4L3MBTL1TBXAS1SERPINE1CYP19A1
SCHEMBL4882456 0.77 BRD4 (0.49) BRD4GAANR1H3
SCHEMBL4882825 0.76 NPC1 (0.49) BRD4CYP19A1CCNCCDK8
SCHEMBL4419725 0.72 BRD4 (0.67) BRD4SERPINE1CYP19A1NOTUMGAA
SCHEMBL9786782 0.71 BRD4 (0.63) BRD4L3MBTL1GAATSHRNR1H2
SCHEMBL4417830 0.69 BRD4 (0.54) BRD4L3MBTL1CYP19A1
SCHEMBL7474106 0.69 BRD4 (0.42) BRD4GAANR1H3
SCHEMBL27463289 0.69 BRD4 (0.42) BRD4GAANR1H3
SCHEMBL5377221 0.68 CYP19A1 (0.43) TBXAS1CYP19A1GAATSHR
SCHEMBL28027825 0.68 BRD4 (0.64) BRD4CYP19A1GAANR1H3

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 1776/4885L3MBTL1 2517/4885TBXAS1 1031/4885

“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.