SCHEMBL616299

SCHEMBL616299

COc1cccc2nc(-c3cc(C)c(OCCN4CCCC4)c(C)c3)ncc12

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
BRD4 O60885 1/20 0.49
IL17A Q16552 1/20 0.49
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
HTR1A P08908 2/20 0.43
HTR1D P28221 2/20 0.43
HTR1B P28222 2/20 0.43
SRC P12931 1/20 0.42

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
SCHEMBL616003 0.87 SRC (0.45) POLBBRD4IL17AALDH1A1CYP2D6
SCHEMBL16516221 0.86 BRD4 (0.60) POLBBRD4IL17A
SCHEMBL618589 0.85 BRD4 (0.59) POLBBRD4IL17A
SCHEMBL619094 0.85 BRD4 (0.59) POLBBRD4IL17A
SCHEMBL619345 0.85 POLB (0.55) POLBBRD4IL17AALDH1A1MEN1
SCHEMBL619114 0.84 BRD4 (0.58) BRD4IL17A
SCHEMBL619812 0.80 HTR1A (0.46) BRD4IL17AALDH1A1MEN1KMT2A
SCHEMBL616086 0.80 BRD4 (0.52) POLBBRD4IL17AHTR1ASRC
SCHEMBL618768 0.80 BRD4 (0.50) POLBBRD4IL17AHTR1ASRC
SCHEMBL616988 0.78 BRD4 (0.51) BRD4IL17A

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
WO-2013175281-A1 USE OF SUBSTITUTED 2-PHENYL-3H-QUINAZOLIN-4-ONES AND ANALOGS FOR INHIBITING BROMODOMAIN AND EXTRA TERMINAL DOMAIN (BET) PROTEINS RVX THERAPEUTICS INC. (CA) 2013-11-28 WO disclosed
US-20120040954-A1 NOVEL ANTI-INFLAMMATORY AGENTS HEPALINK (HONG KONG) LIMITED (HK) 2012-02-16 US 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-20120040954-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 POLB 2974/4885BRD4 700/4885IL17A 226/4885

“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.