SCHEMBL448345

SCHEMBL448345

COc1ccc(-c2ccc3nc(C(C)N(C)S(=O)(=O)c4ccc(C(C)(C)C)cc4)n(-c4ccc(C)cc4)c(=O)c3c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PI4KA P42356 1/20 0.39
CXCR3 P49682 3/20 0.38
PTGES O14684 1/20 0.36
HPD P32754 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
RECQL P46063 1/20 0.35
CASR P41180 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL451728 0.94 PI4KA (0.38) ALDH1A1PI4KACXCR3PTGESHPD
SCHEMBL450958 0.94 CXCR3 (0.40) ALDH1A1RAB9ANPSR1CXCR3HPD
SCHEMBL449395 0.94 ALDH1A1 (0.39) ALDH1A1RAB9ANPSR1CXCR3HPD
SCHEMBL451989 0.93 ALDH1A1 (0.40) ALDH1A1RAB9ANPSR1PI4KACXCR3
SCHEMBL450771 0.93 AVPR1B (0.40) ALDH1A1RAB9ANPSR1PI4KASMN1; SMN2
SCHEMBL451993 0.92 PI4KA (0.40) ALDH1A1RAB9ANPSR1PI4KACXCR3
SCHEMBL453928 0.92 CXCR3 (0.40) ALDH1A1NPSR1CXCR3PTGESHPD
SCHEMBL451680 0.91 CXCR3 (0.41) ALDH1A1CXCR3HPDCASR
SCHEMBL449229 0.90 MEN1 (0.37) PI4KACXCR3HPDMEN1KMT2A
SCHEMBL449425 0.89 CXCR3 (0.36) ALDH1A1RAB9ANPSR1PI4KACXCR3

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 ALDH1A1 3161/4885RAB9A 1349/4885NPSR1 388/4885
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 ALDH1A1 3161/4885RAB9A 1349/4885NPSR1 388/4885

“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.