SCHEMBL450858

SCHEMBL450858

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

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ ALDH1A1 P00352 5/20 0.55
▸ NPSR1 Q6W5P4 2/20 0.54
▸ RAB9A P51151 1/20 0.52
▸ TP53 P04637 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ CXCR3 P49682 1/20 0.49
▸ PDE10A Q9Y233 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ LMNA P02545 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ MDM2 Q00987 1/20 0.46

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 0.92 NPC1 (0.52) ALDH1A1RAB9ACXCR3LMNAPOLB
SCHEMBL453737 0.89 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1NPSR1RAB9AMEN1
SCHEMBL447902 0.89 PTGS2 (0.49) SMN1; SMN2ALDH1A1RAB9AMEN1KMT2A
SCHEMBL450061 0.89 CXCR3 (0.54) SMN1; SMN2ALDH1A1MEN1KMT2ACXCR3
SCHEMBL452947 0.89 PIK3CD (0.47) SMN1; SMN2ALDH1A1MEN1KMT2ALMNA
SCHEMBL450044 0.86 MEN1 (0.47) SMN1; SMN2ALDH1A1RAB9AMEN1KMT2A
SCHEMBL452172 0.86 ALDH1A1 (0.61) SMN1; SMN2ALDH1A1NPSR1RAB9AMEN1
SCHEMBL1553362 0.86 KCNH2 (0.44) SMN1; SMN2ALDH1A1RAB9ATP53CXCR3
SCHEMBL1553219 0.85 CXCR3 (0.52) CXCR3
SCHEMBL448044 0.84 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1NPSR1RAB9ATP53

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 9 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-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-2340838-A1 Compositions and Methods of Treatment of Cancer Minerva Biotechnologies Corporation (US) 2011-07-06 — — EP disclosed
EP-1521746-B1 QUINAZOLINONE MODULATORS OF NUCLEAR RECEPTORS X CEPTOR THERAPEUTICS INC (US) 2011-04-27 — — EP disclosed
EP-1425016-B1 COMPOSITIONS AND METHODS OF TREATMENT OF CANCER MINERVA BIOTECHNOLOGIES CORP (US) 2010-06-02 — — 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 SMN1; SMN2 4873/4885ALDH1A1 3161/4885NPSR1 388/4885
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 SMN1; SMN2 4873/4885ALDH1A1 3161/4885NPSR1 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.

Send feedback