SCHEMBL5212965

SCHEMBL5212965

COc1c(F)cc(Br)c2nc(C)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 3/20 0.40
CCR1 P32246 1/20 0.34
RAB9A P51151 1/20 0.34
CCR5 P51681 1/20 0.34
MAPT P10636 4/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 2/20 0.34
CYP19A1 P11511 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
ALDH1A1 P00352 1/20 0.33
PRNP P04156 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
OPRK1 P41145 1/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33
ADORA1 P30542 1/20 0.33
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
USP2 O75604 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL4059605 0.80 CCR1 (0.39) NQO2CCR1RAB9ACCR5MAPT
SCHEMBL7690476 0.76 NQO2 (0.50) NQO2CCR1RAB9ACCR5MAPT
SCHEMBL31083509 0.75 NSD2 (0.46) NQO2CCR1MAPTKMT2AKDM4E
SCHEMBL7367909 0.73 NQO2 (0.37) NQO2RAB9AMAPTKMT2AKDM4E
SCHEMBL737630 0.73 CCR1 (0.41) NQO2CCR1RAB9ACCR5MAPT
SCHEMBL5216612 0.70 POLB (0.44) NQO2KMT2AKDM4EALDH1A1RXFP1
SCHEMBL31556365 0.69 CCR1 (0.41) CCR1RAB9ACCR5MAPTKMT2A
SCHEMBL13737587 0.69 RAB9A (0.52) NQO2CCR1RAB9ACCR5KMT2A
SCHEMBL12416583 0.69 CCR1 (0.41) CCR1RAB9ACCR5MAPTKMT2A
SCHEMBL1974625 0.67 CCR1 (0.48) NQO2CCR1RAB9ACCR5KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1330460-B1 BENZOXAZINONE DERIVATIVES, THEIR PREPARATION AND USE SMITHKLINE BEECHAM PLC (GB) 2007-03-21 EP disclosed
US-6939871-B2 Benzoxazinone derivatives, their preparation and use SMITHKLINE BEECHAM P.L.C. (GB) 2005-09-06 US disclosed
US-20040063704-A1 Benzoxazinone derivatives, their preparation and use SMITHKLINE BEECHAM P.L.C (GB) 2004-04-01 US disclosed
EP-1330460-A2 BENZOXAZINONE DERIVATIVES, THEIR PREPARATION AND USE SMITHKLINE BEECHAM PLC (GB) 2003-07-30 EP disclosed
WO-2002034754-A2 BENZOXAZINONE DERIVATIVES, THEIR PREPARATION AND USE SMITHKLINE BEECHAM P.L.C. (GB) 2002-05-02 WO 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-20040063704-A1 Benzoxazinone derivatives, their preparation and use CYP2B6, CBR1, CYP2A6 NQO2 483/4885CCR1 277/4885RAB9A 2894/4885

“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.