SCHEMBL451249

SCHEMBL451249

Cc1cccc(-c2ccc(-n3c(C(C)N(C)S(=O)(=O)c4ccc(C(C)(C)C)cc4)nc4ccccc4c3=O)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 12/20 0.43
PRSS1 P07477 1/20 0.41
ALDH1A1 P00352 4/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.38
HSP90AA1 P07900 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL451971 0.93 CXCR3 (0.47) CXCR3PRSS1KMT2AMEN1HSP90AA1
SCHEMBL454538 0.93 CXCR3 (0.47) CXCR3PRSS1KMT2AMEN1HSP90AA1
SCHEMBL451506 0.92 CXCR3 (0.46) CXCR3PRSS1ALDH1A1SMN1; SMN2
SCHEMBL449622 0.91 CXCR3 (0.42) CXCR3PRSS1SMN1; SMN2
SCHEMBL451993 0.90 PI4KA (0.40) CXCR3PRSS1ALDH1A1
SCHEMBL451363 0.90 CXCR3 (0.48) CXCR3PRSS1ALDH1A1SMN1; SMN2
SCHEMBL450941 0.90 CXCR3 (0.43) CXCR3PRSS1ALDH1A1SMN1; SMN2
SCHEMBL451511 0.90 PRSS1 (0.49) CXCR3PRSS1
SCHEMBL448697 0.90 CXCR3 (0.45) CXCR3PRSS1
SCHEMBL451989 0.88 ALDH1A1 (0.40) CXCR3ALDH1A1MAPT

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 741/4885PRSS1 3817/4885ALDH1A1 3161/4885
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 CXCR3 741/4885PRSS1 3817/4885ALDH1A1 3161/4885

“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.