SCHEMBL452947

SCHEMBL452947

CNC(C)c1nc2ccccc2c(=O)n1-c1cc(C)cc(C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.47
PIK3R1 P27986 1/20 0.47
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
LMNA P02545 3/20 0.45
MEN1 O00255 1/20 0.45
PLA2G1B P04054 1/20 0.45
HPGD P15428 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ATG4B Q9Y4P1 1/20 0.45
ALDH1A1 P00352 3/20 0.44
HSD17B10 Q99714 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
TDO2 P48775 1/20 0.43
IDO2 Q6ZQW0 1/20 0.43
HTT P42858 1/20 0.43
GAA P10253 1/20 0.43
PIK3R2 O00459 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
SCHEMBL450858 0.89 SMN1; SMN2 (0.57) POLBSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL451131 0.88 NPC1 (0.52) PIK3CDPIK3R1POLBLMNAHPGD
SCHEMBL450561 0.83 ALDH1A1 (0.67) POLBSMN1; SMN2LMNAL3MBTL1ALDH1A1
SCHEMBL447902 0.82 PTGS2 (0.49) PIK3CDPOLBSMN1; SMN2MEN1KMT2A
SCHEMBL453737 0.82 SMN1; SMN2 (0.58) PIK3CDPIK3R1SMN1; SMN2MEN1HPGD
SCHEMBL450061 0.82 CXCR3 (0.54) PIK3CDPIK3R1SMN1; SMN2MEN1KMT2A
SCHEMBL1553135 0.81 SMN1; SMN2 (0.65) POLBSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL450044 0.81 MEN1 (0.47) PIK3CDSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL452172 0.81 ALDH1A1 (0.61) POLBSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL1554042 0.81 HSD17B10 (0.45) POLBSMN1; SMN2LMNAMEN1PLA2G1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8748440-B2 Quinazolinone modulators of nuclear receptors EXELIXIS, INC. (US) 2014-06-10 US claimed
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 PIK3CD 1577/4885PIK3R1 811/4885POLB 3961/4885
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 PIK3CD 1577/4885PIK3R1 811/4885POLB 3961/4885

“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.