SCHEMBL454339

SCHEMBL454339

COc1ccccc1-n1c(C(C)N(C)S(=O)(=O)c2ccc(-c3ccccc3)cc2)nc2ccccc2c1=O

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 2/20 0.47
MAPK1 P28482 1/20 0.47
TP53 P04637 2/20 0.47
LMNA P02545 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 2/20 0.46
JUN P05412 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
THRB P10828 1/20 0.44
PTGS2 P35354 1/20 0.43
TSHR P16473 1/20 0.43
CXCR3 P49682 1/20 0.42
APLNR P35414 2/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL452606 0.92 L3MBTL1 (0.48) L3MBTL1ALDH1A1MAPK1TP53LMNA
SCHEMBL452607 0.90 L3MBTL1 (0.47) L3MBTL1ALDH1A1MAPK1TP53LMNA
SCHEMBL448644 0.85 CXCR3 (0.50) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL454537 0.83 SMN1; SMN2 (0.53) L3MBTL1ALDH1A1TP53MEN1KMT2A
SCHEMBL453684 0.83 CXCR3 (0.59) CXCR3
SCHEMBL448424 0.82 ALDH1A1 (0.53) L3MBTL1ALDH1A1LMNAMEN1KMT2A
SCHEMBL451421 0.82 CXCR3 (0.50) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL448940 0.81 CXCR3 (0.45) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL450680 0.81 CXCR3 (0.49) MEN1KMT2AMAPTPTGS2CXCR3
SCHEMBL451676 0.81 CXCR3 (0.49) ALDH1A1MAPK1MEN1KMT2AMAPT

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 L3MBTL1 4767/4885ALDH1A1 3161/4885MAPK1 3043/4885

“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.