SCHEMBL452827

SCHEMBL452827

COC(=O)c1ccc(-c2ccc(-n3c(C(C)NCS(=O)(=O)c4ccc(C(C)(C)C)cc4)nc4ccccc4c3=O)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
BLM P54132 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CXCR3 P49682 10/20 0.40
PDE7A Q13946 1/20 0.38
PDE7B Q9NP56 1/20 0.38
ALDH1A1 P00352 2/20 0.38
TNKS O95271 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
PDE10A Q9Y233 1/20 0.37

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
SCHEMBL451929 0.93 POLB (0.42) POLBSMN1; SMN2CXCR3ALDH1A1KDM4E
SCHEMBL454415 0.93 MAPK1 (0.46) POLBMEN1KMT2ACXCR3MAPK1
SCHEMBL452941 0.90 MAPK1 (0.48) POLBMEN1KMT2ACXCR3MAPK1
SCHEMBL448993 0.89 POLB (0.39) POLBSMN1; SMN2ALDH1A1LMNA
SCHEMBL448696 0.88 PDE10A (0.39) CXCR3PDE7APDE7BMAPK1PDE10A
SCHEMBL451872 0.85 PI4KA (0.38) POLBSMN1; SMN2ALDH1A1LMNA
SCHEMBL452826 0.83 POLB (0.50) POLBCXCR3ALDH1A1
SCHEMBL453929 0.83 PTGES (0.39) ALDH1A1KDM4EPDE10A
SCHEMBL450875 0.82 CXCR3 (0.43) CXCR3MAPK1LMNA
SCHEMBL448445 0.79 ALDH1A1 (0.37) CXCR3ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 POLB 3961/4885MEN1 4424/4885KMT2A 3861/4885
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 POLB 3961/4885MEN1 4424/4885KMT2A 3861/4885

“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.