SCHEMBL454282

SCHEMBL454282

COc1ccc(-n2c(C(C)N(C)S(=O)(=O)c3ccc(-c4ccccc4)cc3)nc3cc(C)ccc3c2=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
RAB9A P51151 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
PDE10A Q9Y233 4/20 0.45
CXCR3 P49682 3/20 0.45
G6PD P11413 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 1/20 0.41
EGFR P00533 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL450081 0.94 ALDH1A1 (0.48) ALDH1A1RAB9ANPSR1PDE10ACXCR3
SCHEMBL451491 0.94 PDE10A (0.50) ALDH1A1RAB9ANPSR1PDE10ACXCR3
SCHEMBL448622 0.93 PDE10A (0.49) ALDH1A1RAB9ANPSR1PDE10ACXCR3
SCHEMBL450952 0.91 EGFR (0.49) ALDH1A1RAB9ANPSR1PDE10ACXCR3
SCHEMBL450487 0.90 PDE10A (0.47) ALDH1A1RAB9ANPSR1PDE10ACXCR3
SCHEMBL450015 0.90 ALDH1A1 (0.46) ALDH1A1RAB9ANPSR1CXCR3G6PD
SCHEMBL451703 0.89 ALDH1A1 (0.58) ALDH1A1RAB9ANPSR1PDE10ACXCR3
SCHEMBL449020 0.89 ALDH1A1 (0.44) ALDH1A1RAB9ANPSR1PDE10ACXCR3
SCHEMBL451445 0.88 PDE10A (0.45) ALDH1A1RAB9ANPSR1PDE10ACXCR3
SCHEMBL449859 0.88 ALDH1A1 (0.45) ALDH1A1RAB9ANPSR1PDE10ACXCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120064025-A1 Quinazolinone Modulators Of Nuclear Receptors EXELIXIS, INC. (US) 2012-03-15 US claimed
EP-1521746-B1 QUINAZOLINONE MODULATORS OF NUCLEAR RECEPTORS X CEPTOR THERAPEUTICS INC (US) 2011-04-27 EP claimed
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

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-20120064025-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 ALDH1A1 3161/4885RAB9A 1349/4885NPSR1 388/4885

“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.