SCHEMBL447902

SCHEMBL447902

CNC(C)c1nc2ccccc2c(=O)n1-c1ccc(Br)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 2/20 0.47
ALDH1A1 P00352 2/20 0.45
KCNH2 Q12809 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
PIK3CD O00329 1/20 0.45
PIK3R2 O00459 1/20 0.45
PIK3CG P48736 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
MAPK1 P28482 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL451131 0.91 NPC1 (0.52) POLBALDH1A1KCNH2HRH3NPC1
SCHEMBL450858 0.89 SMN1; SMN2 (0.57) MEN1KMT2APOLBALDH1A1RAB9A
SCHEMBL450061 0.88 CXCR3 (0.54) MEN1KMT2AALDH1A1PIK3CDPIK3CG
SCHEMBL453737 0.88 SMN1; SMN2 (0.58) PTGS2MEN1KMT2AALDH1A1KCNH2
SCHEMBL1553362 0.85 KCNH2 (0.44) POLBALDH1A1KCNH2HRH3NPC1
SCHEMBL450044 0.85 MEN1 (0.47) MEN1KMT2AALDH1A1KCNH2HRH3
SCHEMBL452172 0.85 ALDH1A1 (0.61) PTGS2MEN1KMT2APOLBALDH1A1
SCHEMBL450719 0.85 PTGS2 (0.51) PTGS2MEN1KMT2APOLBALDH1A1
SCHEMBL1553219 0.84 CXCR3 (0.52)
SCHEMBL12463889 0.84 PTGS2 (0.47) PTGS2MEN1KMT2APOLBKCNH2

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 10 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
EP-1521746-A1 QUINAZOLINONE MODULATORS OF NUCLEAR RECEPTORS X-Ceptor Therapeutics, Inc. (US) 2005-04-13 EP claimed
WO-2003076418-A1 QUINAZOLINONE MODULATORS OF NUCLEAR RECEPTORS X-CEPTOR THERAPEUTICS, INC. (US) 2003-09-18 WO claimed
US-8748440-B2 Quinazolinone modulators of nuclear receptors EXELIXIS, INC. (US) 2014-06-10 US disclosed
US-20120064025-A1 Quinazolinone Modulators Of Nuclear Receptors EXELIXIS, INC. (US) 2012-03-15 US disclosed
EP-1521746-B1 QUINAZOLINONE MODULATORS OF NUCLEAR RECEPTORS X CEPTOR THERAPEUTICS INC (US) 2011-04-27 EP 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 (2 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-20120064025-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 PTGS2 1867/4885MEN1 4424/4885KMT2A 3861/4885
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 PTGS2 1867/4885MEN1 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.