SCHEMBL450771

SCHEMBL450771

COc1cccc(-c2ccc3nc(C(C)N(C)S(=O)(=O)c4ccc(C(C)(C)C)cc4)n(-c4ccc(C)cc4)c(=O)c3c2)c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 9/20 0.40
PI4KA P42356 3/20 0.40
ALDH1A1 P00352 2/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PIK3CG P48736 2/20 0.36
ALKBH3 Q96Q83 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
SERPINE1 P05121 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
SCHEMBL448345 0.93 ALDH1A1 (0.43) PI4KAALDH1A1RAB9ANPSR1SMN1; SMN2
SCHEMBL451989 0.92 ALDH1A1 (0.40) AVPR1BPI4KAALDH1A1RAB9ANPSR1
SCHEMBL449395 0.91 ALDH1A1 (0.39) ALDH1A1RAB9ANPSR1SMN1; SMN2
SCHEMBL451993 0.91 PI4KA (0.40) PI4KAALDH1A1RAB9ANPSR1PIK3CG
SCHEMBL450941 0.91 CXCR3 (0.43) ALDH1A1RAB9ANPSR1SMN1; SMN2LMNA
SCHEMBL451728 0.91 PI4KA (0.38) PI4KAALDH1A1PIK3CG
SCHEMBL448587 0.89 ALDH1A1 (0.40) AVPR1BPI4KAALDH1A1RAB9ANPSR1
SCHEMBL451873 0.88 PTPN2 (0.39) PI4KAALDH1A1PIK3CGSMN1; SMN2LMNA
SCHEMBL450958 0.88 CXCR3 (0.40) ALDH1A1RAB9ANPSR1
SCHEMBL448444 0.88 CXCR3 (0.38) PI4KAALDH1A1

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 AVPR1B 2570/4885PI4KA 901/4885ALDH1A1 3161/4885
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 AVPR1B 2570/4885PI4KA 901/4885ALDH1A1 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.