SCHEMBL454537

SCHEMBL454537

COc1cccc(-n2c(C(C)N(C)S(=O)(=O)c3ccc(-c4ccccc4)cc3)nc3ccccc3c2=O)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
USP2 O75604 1/20 0.49
TP53 P04637 2/20 0.46
POLB P06746 2/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
GAA P10253 2/20 0.45
MAPT P10636 2/20 0.45
PSMD14 O00487 1/20 0.45
THRB P10828 1/20 0.45
ALDH1A1 P00352 3/20 0.45
TSHR P16473 1/20 0.45
KDM4E B2RXH2 1/20 0.44
CXCR3 P49682 3/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL451871 0.92 SMN1; SMN2 (0.53) SMN1; SMN2USP2TP53POLBMEN1
SCHEMBL454109 0.90 SMN1; SMN2 (0.51) SMN1; SMN2USP2TP53POLBMEN1
SCHEMBL448644 0.90 CXCR3 (0.50) MEN1KMT2AGAAMAPTALDH1A1
SCHEMBL450941 0.89 CXCR3 (0.43) SMN1; SMN2USP2ALDH1A1CXCR3RAB9A
SCHEMBL448756 0.89 CXCR3 (0.53) SMN1; SMN2MEN1KMT2AALDH1A1TSHR
SCHEMBL450015 0.87 ALDH1A1 (0.46) USP2MEN1KMT2AMAPTALDH1A1
SCHEMBL451745 0.87 CXCR3 (0.55) MEN1KMT2AMAPTALDH1A1TSHR
SCHEMBL448940 0.85 CXCR3 (0.45) POLBMEN1KMT2AGAAMAPT
SCHEMBL449084 0.84 CXCR3 (0.47) SMN1; SMN2POLBMEN1KMT2AMAPT
SCHEMBL454282 0.84 ALDH1A1 (0.50) SMN1; SMN2MEN1KMT2AALDH1A1CXCR3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 SMN1; SMN2 4873/4885USP2 4055/4885TP53 4381/4885

“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.