SCHEMBL1553487

SCHEMBL1553487

Cc1ccc(-n2c(C(C)C(N)=O)nc3ccc(Br)cc3c2=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.53
MAPT P10636 1/20 0.53
POLB P06746 1/20 0.43
HPD P32754 4/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 2/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PTGS2 P35354 1/20 0.40
PDE7A Q13946 1/20 0.40
AURKA O14965 1/20 0.39
KDR P35968 1/20 0.39
AURKB Q96GD4 1/20 0.39
CXCR3 P49682 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL1553792 0.83 POLB (0.50) MAPTPOLBMEN1KMT2AHPGD
SCHEMBL1552456 0.83 ALDH1A1 (0.47) MAPTPOLBHPDALDH1A1
SCHEMBL1553253 0.82 MAPT (0.47) ATMMAPTPOLBHPDMEN1
SCHEMBL1552479 0.79 HRH3 (0.47) HPDLMNACXCR3ALDH1A1
SCHEMBL7171020 0.78 POLB (0.67) ATMMAPTPOLBHPDLMNA
SCHEMBL1553112 0.76 PDE10A (0.56) ALDH1A1
SCHEMBL1554042 0.76 HSD17B10 (0.45) MAPTPOLBMEN1KMT2ALMNA
SCHEMBL1553204 0.75 PDE10A (0.57) HPD
SCHEMBL448951 0.75 MAPT (0.46) ATMMAPTPOLBHPDLMNA
SCHEMBL4582001 0.74 SMN1; SMN2 (0.56) MAPTPOLBMEN1KMT2ALMNA

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 7 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
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-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors X-CEPTOR THERAPEUTICS, INC. (US) 2008-03-20 US disclosed
EP-1521746-A1 QUINAZOLINONE MODULATORS OF NUCLEAR RECEPTORS X-Ceptor Therapeutics, Inc. (US) 2005-04-13 EP disclosed
WO-2003076418-A1 QUINAZOLINONE MODULATORS OF NUCLEAR RECEPTORS X-CEPTOR THERAPEUTICS, INC. (US) 2003-09-18 WO 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-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 ATM 3082/4885MAPT 4075/4885POLB 3961/4885

“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.