SCHEMBL1553792

SCHEMBL1553792

CC(C(N)=O)c1nc2ccccc2c(=O)n1-c1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPK1 P28482 1/20 0.48
PTGS2 P35354 2/20 0.47
KCNH2 Q12809 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CCKBR P32239 1/20 0.43
PIK3CD O00329 1/20 0.43
PIK3R2 O00459 1/20 0.43
PIK3CG P48736 1/20 0.43
CXCR3 P49682 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 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
SCHEMBL1553167 0.88 CXCR3 (0.53) POLBMEN1KMT2AMAPK1ALDH1A1
SCHEMBL4582001 0.88 SMN1; SMN2 (0.56) POLBMEN1KMT2AMAPK1PTGS2
SCHEMBL1553360 0.86 MAPK1 (0.46) POLBMEN1KMT2AMAPK1KCNH2
SCHEMBL1553708 0.86 MEN1 (0.50) POLBMEN1KMT2AMAPK1KCNH2
SCHEMBL4579481 0.86 ALDH1A1 (0.59) POLBMEN1KMT2APTGS2KCNH2
SCHEMBL1554042 0.83 HSD17B10 (0.45) POLBMEN1KMT2AMAPK1ALDH1A1
SCHEMBL1553487 0.83 ATM (0.53) POLBMEN1KMT2APTGS2ALDH1A1
SCHEMBL450719 0.83 PTGS2 (0.51) POLBMEN1KMT2AMAPK1PTGS2
SCHEMBL1553513 0.82 KCNH2 (0.56) KCNH2HRH3ALDH1A1SMN1; SMN2CXCR3
SCHEMBL447902 0.81 PTGS2 (0.49) POLBMEN1KMT2AMAPK1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1521746-B1 QUINAZOLINONE MODULATORS OF NUCLEAR RECEPTORS X CEPTOR THERAPEUTICS INC (US) 2011-04-27 EP claimed
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors X-CEPTOR THERAPEUTICS, INC. (US) 2008-03-20 US claimed
US-8748440-B2 Quinazolinone modulators of nuclear receptors EXELIXIS, INC. (US) 2014-06-10 US disclosed
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors X-CEPTOR THERAPEUTICS, INC. (US) 2008-03-20 US disclosed
EP-1521746-A1 QUINAZOLINONE MODULATORS OF NUCLEAR RECEPTORS X-Ceptor Therapeutics, Inc. (US) 2005-04-13 EP disclosed
WO-2003076418-A1 QUINAZOLINONE MODULATORS OF NUCLEAR RECEPTORS X-CEPTOR THERAPEUTICS, INC. (US) 2003-09-18 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-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 POLB 3961/4885MEN1 4424/4885KMT2A 3861/4885

“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.