SCHEMBL448444

SCHEMBL448444

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

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 7/20 0.38
RXRA P19793 3/20 0.36
RARG P13631 2/20 0.36
CSNK2A1 P68400 1/20 0.36
RXRB P28702 1/20 0.36
PI4KA P42356 1/20 0.35
HPD P32754 1/20 0.34
RARA P10276 1/20 0.34
RARB P10826 1/20 0.34
DHODH Q02127 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL451873 0.93 PTPN2 (0.39) CXCR3PI4KADHODHALDH1A1
SCHEMBL451993 0.91 PI4KA (0.40) CXCR3PI4KAALDH1A1
SCHEMBL448697 0.91 CXCR3 (0.45) CXCR3
SCHEMBL451728 0.91 PI4KA (0.38) CXCR3PI4KAHPDALDH1A1
SCHEMBL450771 0.88 AVPR1B (0.40) PI4KAALDH1A1
SCHEMBL448994 0.87 POLB (0.40) CXCR3RXRARARGPI4KAHPD
SCHEMBL449229 0.87 MEN1 (0.37) CXCR3PI4KAHPD
SCHEMBL448991 0.85 CXCR3 (0.39) CXCR3HPDALDH1A1
SCHEMBL451765 0.85 CXCR3 (0.38) CXCR3PI4KAALDH1A1
SCHEMBL448345 0.85 ALDH1A1 (0.43) CXCR3PI4KAHPDALDH1A1

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 CXCR3 741/4885RXRA 20/4885RARG 61/4885
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 CXCR3 741/4885RXRA 20/4885RARG 61/4885

“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.