SCHEMBL452607

SCHEMBL452607

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
TP53 P04637 2/20 0.45
LMNA P02545 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
PRSS1 P07477 1/20 0.44
MAPT P10636 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 1/20 0.43
THRB P10828 1/20 0.42
TSHR P16473 1/20 0.41
NR1I2 O75469 1/20 0.41
JUN P05412 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
RAB9A P51151 1/20 0.38
CXCR3 P49682 1/20 0.38

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
SCHEMBL454339 0.90 L3MBTL1 (0.49) L3MBTL1TP53LMNAMEN1KMT2A
SCHEMBL452606 0.89 L3MBTL1 (0.48) L3MBTL1TP53LMNAMEN1KMT2A
SCHEMBL451766 0.87 CXCR3 (0.42) PRSS1ALDH1A1RAB9ACXCR3
SCHEMBL451511 0.86 PRSS1 (0.49) PRSS1CXCR3
SCHEMBL449628 0.86 PRSS1 (0.49) LMNAPRSS1ALDH1A1CXCR3
SCHEMBL451205 0.86 CXCR3 (0.50) LMNAMEN1KMT2APRSS1ALDH1A1
SCHEMBL454109 0.84 SMN1; SMN2 (0.51) L3MBTL1TP53MEN1KMT2APRSS1
SCHEMBL452154 0.84 CXCR3 (0.53) PRSS1CXCR3
SCHEMBL449419 0.83 ALDH1A1 (0.50) LMNAMEN1KMT2APRSS1ALDH1A1
SCHEMBL452757 0.83 ALDH1A1 (0.51) L3MBTL1LMNAPRSS1MAPTALDH1A1

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 L3MBTL1 4767/4885TP53 4381/4885LMNA 3754/4885
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 L3MBTL1 4767/4885TP53 4381/4885LMNA 3754/4885

“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.