SCHEMBL449229

SCHEMBL449229

Cc1ccc(-n2c(C(C)N(C)S(=O)(=O)c3ccc(C(C)(C)C)cc3)nc3ccc(-c4ccc(Cl)cc4)cc3c2=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPC1 O15118 1/20 0.36
CXCR3 P49682 3/20 0.36
PI4KA P42356 1/20 0.36
CYP2D6 P10635 2/20 0.35
HTR6 P50406 1/20 0.34
HPD P32754 1/20 0.34
PRSS1 P07477 1/20 0.34
GHSR Q92847 1/20 0.34

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
SCHEMBL451728 0.96 PI4KA (0.38) CXCR3PI4KAHPDPRSS1
SCHEMBL451993 0.93 PI4KA (0.40) CXCR3PI4KAPRSS1
SCHEMBL448345 0.90 ALDH1A1 (0.43) MEN1KMT2ACXCR3PI4KAHPD
SCHEMBL453347 0.90 TRPV1 (0.41) CXCR3PI4KA
SCHEMBL449536 0.89 PRSS1 (0.37) MEN1KMT2ACXCR3PI4KAPRSS1
SCHEMBL453544 0.88 HTR6 (0.46) MEN1KMT2ACXCR3CYP2D6HTR6
SCHEMBL448994 0.88 POLB (0.40) CXCR3PI4KAHPD
SCHEMBL448991 0.87 CXCR3 (0.39) CXCR3HPDPRSS1
SCHEMBL451506 0.87 CXCR3 (0.46) CXCR3PRSS1
SCHEMBL451765 0.87 CXCR3 (0.38) CXCR3PI4KAPRSS1

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
US-8748440-B2 Quinazolinone modulators of nuclear receptors EXELIXIS, INC. (US) 2014-06-10 US claimed
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
EP-0850296-B1 COLOR-SAFE BLEACH BOOSTERS, COMPOSITIONS AND LAUNDRY METHODS EMPLOYING SAME PROCTER & GAMBLE (US) 2011-04-27 EP claimed
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors X-CEPTOR THERAPEUTICS, INC. (US) 2008-03-20 US 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

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 MEN1 4424/4885KMT2A 3861/4885NPC1 84/4885
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 MEN1 4424/4885KMT2A 3861/4885NPC1 84/4885

“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.