SCHEMBL4582001

SCHEMBL4582001

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.56
HTR6 P50406 1/20 0.53
PDE10A Q9Y233 1/20 0.53
MAPK1 P28482 2/20 0.51
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2C9 P11712 2/20 0.51
TSHR P16473 2/20 0.51
CYP2C19 P33261 2/20 0.51
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
GAA P10253 2/20 0.51
MEN1 O00255 1/20 0.51
CYP2D6 P10635 1/20 0.51
HPGD P15428 1/20 0.51
KMT2A Q03164 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HSD17B10 Q99714 1/20 0.51
JUN P05412 3/20 0.47
NFKB1 P19838 2/20 0.47

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
SCHEMBL1553792 0.88 POLB (0.50) SMN1; SMN2MAPK1KDM4EALDH1A1MEN1
SCHEMBL1553167 0.88 CXCR3 (0.53) PDE10AMAPK1ALDH1A1MEN1KMT2A
SCHEMBL1553708 0.86 MEN1 (0.50) HTR6MAPK1MEN1KMT2APOLB
SCHEMBL1553360 0.86 MAPK1 (0.46) SMN1; SMN2MAPK1KDM4EALDH1A1MEN1
SCHEMBL4579481 0.86 ALDH1A1 (0.59) PDE10ACYP1A2CYP3A4CYP2C9TSHR
SCHEMBL1554042 0.83 HSD17B10 (0.45) SMN1; SMN2PDE10AMAPK1KDM4EALDH1A1
SCHEMBL1553513 0.82 KCNH2 (0.56) SMN1; SMN2PDE10AALDH1A1CXCR3KCNH2
SCHEMBL453737 0.81 SMN1; SMN2 (0.58) SMN1; SMN2HTR6PDE10AMAPK1CYP1A2
SCHEMBL1553641 0.80 PDE10A (0.57) PDE10ACYP3A4KCNH2HRH3
SCHEMBL1553204 0.80 PDE10A (0.57) PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 SMN1; SMN2 4873/4885HTR6 1521/4885PDE10A 1893/4885

“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.