SCHEMBL1553360

SCHEMBL1553360

CC(C(N)=O)c1nc2ccccc2c(=O)n1-c1ccc(C(C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.46
POLB P06746 1/20 0.46
CXCR3 P49682 10/20 0.45
KCNH2 Q12809 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
TP53 P04637 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PIK3CD O00329 1/20 0.42
PIK3R2 O00459 1/20 0.42
PIK3CG P48736 1/20 0.42
PDE7A Q13946 1/20 0.42
PDE7B Q9NP56 1/20 0.42

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
SCHEMBL4582001 0.86 SMN1; SMN2 (0.56) MAPK1POLBCXCR3KCNH2HRH3
SCHEMBL1553792 0.86 POLB (0.50) MAPK1POLBCXCR3KCNH2HRH3
SCHEMBL1553167 0.86 CXCR3 (0.53) MAPK1POLBCXCR3ALDH1A1MEN1
SCHEMBL4579481 0.84 ALDH1A1 (0.59) POLBCXCR3KCNH2HRH3ALDH1A1
SCHEMBL1553708 0.84 MEN1 (0.50) MAPK1POLBCXCR3KCNH2HRH3
SCHEMBL1553362 0.81 KCNH2 (0.44) MAPK1POLBCXCR3KCNH2HRH3
SCHEMBL1554042 0.81 HSD17B10 (0.45) MAPK1POLBCXCR3TP53ALDH1A1
SCHEMBL1553513 0.81 KCNH2 (0.56) CXCR3KCNH2HRH3ALDH1A1SMN1; SMN2
SCHEMBL451493 0.80 CXCR3 (0.50) MAPK1CXCR3
SCHEMBL1553134 0.78 SMN1; SMN2 (0.63) MAPK1POLBTP53ALDH1A1KDM4E

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 5 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

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 MAPK1 3043/4885POLB 3961/4885CXCR3 741/4885

“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.