Sugi Predict

Sugi Predict / Compounds / SCHEMBL452097

SCHEMBL452097

SCHEMBL452097

COc1ccc(-n2c(C(C)N(C)S(=O)(=O)c3ccc(C(C)(C)C)cc3)nc3cccc(OC)c3c2=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ CXCR3 P49682 2/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ HSD11B1 P28845 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ PDE10A Q9Y233 1/20 0.36
▸ PTGER2 P43116 2/20 0.36
▸ APLNR P35414 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.35
▸ MMP2 P08253 1/20 0.35
▸ MMP3 P08254 1/20 0.35
▸ MMP9 P14780 1/20 0.35
▸ MMP13 P45452 1/20 0.35
▸ NPBWR1 P48145 1/20 0.35
▸ MCHR1 Q99705 1/20 0.35

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
SCHEMBL451645 0.92 CXCR3 (0.38) HRH3KCNH2CXCR3HSD11B1ALDH1A1
SCHEMBL449089 0.90 HRH3 (0.40) HRH3KCNH2CXCR3MEN1KMT2A
SCHEMBL447897 0.89 ALDH1A1 (0.42) HRH3KCNH2CXCR3MEN1KMT2A
SCHEMBL451205 0.87 CXCR3 (0.50) CXCR3MEN1KMT2AALDH1A1PDE10A
SCHEMBL450121 0.86 HRH3 (0.39) HRH3KCNH2CXCR3MAPTHSD11B1
SCHEMBL452305 0.85 CXCR3 (0.41) HRH3KCNH2CXCR3MEN1KMT2A
SCHEMBL449419 0.85 ALDH1A1 (0.50) CXCR3MEN1KMT2AALDH1A1PDE10A
SCHEMBL453148 0.84 CXCR3 (0.44) HRH3KCNH2CXCR3ALDH1A1MMP2
SCHEMBL451680 0.83 CXCR3 (0.41) HRH3KCNH2CXCR3HSD11B1ALDH1A1
SCHEMBL452652 0.83 CXCR3 (0.41) HRH3KCNH2CXCR3MEN1KMT2A

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 HRH3 886/4885KCNH2 4581/4885CXCR3 741/4885
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 HRH3 886/4885KCNH2 4581/4885CXCR3 741/4885

“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.