SCHEMBL450561

SCHEMBL450561

CNC(C)c1nc2ccccc2c(=O)n1-c1ccc(C)cc1C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.67
SMN1; SMN2 Q16637 4/20 0.65
KDM4E B2RXH2 2/20 0.65
MAPT P10636 2/20 0.65
TDO2 P48775 1/20 0.53
IDO2 Q6ZQW0 1/20 0.53
LMNA P02545 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HTR7 P34969 3/20 0.46
GLA P06280 2/20 0.44
POLB P06746 1/20 0.43
JUN P05412 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
GPR139 Q6DWJ6 1/20 0.42
GAA P10253 2/20 0.41
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL452032 0.87 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2KDM4EMAPTTDO2
SCHEMBL450858 0.84 SMN1; SMN2 (0.57) ALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL452947 0.83 PIK3CD (0.47) ALDH1A1SMN1; SMN2KDM4EMAPTTDO2
SCHEMBL1553141 0.83 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2KDM4EMAPTTDO2
SCHEMBL451131 0.81 NPC1 (0.52) ALDH1A1KDM4EMAPTLMNAL3MBTL1
SCHEMBL1551501 0.81 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2KDM4EMAPTTDO2
SCHEMBL450328 0.80 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2KDM4EMAPTTDO2
SCHEMBL450438 0.79 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2KDM4EMAPTTDO2
SCHEMBL450965 0.78 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2KDM4EMAPTTDO2
SCHEMBL454036 0.78 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2KDM4EMAPTTDO2

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 ALDH1A1 3161/4885SMN1; SMN2 4873/4885KDM4E 3717/4885
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 ALDH1A1 3161/4885SMN1; SMN2 4873/4885KDM4E 3717/4885

“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.