SCHEMBL448445

SCHEMBL448445

Cc1ccc(-n2c(C(C)NCS(=O)(=O)c3ccc(C(C)(C)C)cc3)nc3ccc(-c4cccc(C(=O)O)c4)cc3c2=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CSNK2A1 P68400 1/20 0.37
LMNA P02545 1/20 0.36
PI4KA P42356 1/20 0.36
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
RXRA P19793 2/20 0.35
RXRB P28702 1/20 0.35
ADORA3 P0DMS8 1/20 0.34
HPD P32754 1/20 0.34
RARA P10276 1/20 0.34
RARB P10826 1/20 0.34
RARG P13631 1/20 0.34
EGFR P00533 1/20 0.34
ERBB2 P04626 1/20 0.34
CXCR3 P49682 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
SCHEMBL451872 0.94 PI4KA (0.38) ALDH1A1TP53TDP1LMNAPI4KA
SCHEMBL448696 0.91 PDE10A (0.39) CXCR3
SCHEMBL448993 0.88 POLB (0.39) ALDH1A1TP53TDP1LMNAPI4KA
SCHEMBL453929 0.85 PTGES (0.39) ALDH1A1CSNK2A1CA12CA1CA2
SCHEMBL451929 0.85 POLB (0.42) ALDH1A1LMNACA12CA1CA2
SCHEMBL454415 0.84 MAPK1 (0.46) CXCR3
SCHEMBL448444 0.84 CXCR3 (0.38) ALDH1A1CSNK2A1PI4KARXRARXRB
SCHEMBL452941 0.83 MAPK1 (0.48) CXCR3
SCHEMBL453921 0.80 MEN1 (0.36) ALDH1A1CA12CA1CA2CA9
SCHEMBL452827 0.79 POLB (0.49) ALDH1A1LMNACXCR3

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 8 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
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 ALDH1A1 3161/4885TP53 4381/4885TDP1 4440/4885
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 ALDH1A1 3161/4885TP53 4381/4885TDP1 4440/4885

“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.