SCHEMBL453845

SCHEMBL453845

COc1ccc(C(=O)N(C)C(C)c2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CXCR3 P49682 2/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ ALDH1A1 P00352 3/20 0.49
▸ PDE10A Q9Y233 4/20 0.48
▸ LMNA P02545 1/20 0.48
▸ HTR6 P50406 1/20 0.48
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ PTGS2 P35354 1/20 0.47
▸ JUN P05412 1/20 0.46
▸ POLB P06746 1/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.45

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
SCHEMBL449210 0.95 CXCR3 (0.59) CXCR3ALDH1A1PDE10ALMNAMEN1
SCHEMBL452466 0.91 POLB (0.58) CXCR3SMN1; SMN2ALDH1A1PDE10AHTR6
SCHEMBL450828 0.91 POLB (0.58) CXCR3ALDH1A1PDE10ALMNAMEN1
SCHEMBL451199 0.90 SMN1; SMN2 (0.50) CXCR3SMN1; SMN2ALDH1A1PDE10AHTR6
SCHEMBL1552961 0.89 CXCR3 (0.54) CXCR3ALDH1A1PDE10ALMNAMEN1
SCHEMBL450119 0.87 CXCR3 (0.55) CXCR3SMN1; SMN2ALDH1A1PDE10ALMNA
SCHEMBL451143 0.87 CXCR3 (0.51) CXCR3SMN1; SMN2ALDH1A1PDE10AHTR6
SCHEMBL453380 0.85 SMN1; SMN2 (0.53) CXCR3SMN1; SMN2ALDH1A1PDE10AHTR6
SCHEMBL454229 0.84 PDE10A (0.50) CXCR3SMN1; SMN2PDE10A
SCHEMBL453876 0.84 PDE10A (0.50) CXCR3SMN1; SMN2PDE10A

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 6 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-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 741/4885SMN1; SMN2 4873/4885ALDH1A1 3161/4885
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 CXCR3 741/4885SMN1; SMN2 4873/4885ALDH1A1 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.

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