SCHEMBL449456

SCHEMBL449456

CC(c1nc2ccccc2c(=O)n1-c1ccc(Br)cc1)N(C)C(=O)c1ccc2c(c1)OCO2

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
KDM4E B2RXH2 5/20 0.45
HPGD P15428 3/20 0.45
HTT P42858 2/20 0.45
GAA P10253 2/20 0.45
LMNA P02545 4/20 0.44
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 2/20 0.44
USP2 O75604 2/20 0.44
MAPT P10636 3/20 0.44
POLB P06746 1/20 0.42
CXCR3 P49682 4/20 0.41

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
SCHEMBL449751 0.94 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDHTTGAA
SCHEMBL448885 0.92 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDHTTGAA
SCHEMBL452237 0.92 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDHTTGAA
SCHEMBL451852 0.92 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDHTTGAA
SCHEMBL448566 0.90 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDHTTGAA
SCHEMBL449305 0.90 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDHTTGAA
SCHEMBL449502 0.89 CXCR3 (0.51) CXCR3
SCHEMBL450532 0.89 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDHTTGAA
SCHEMBL450155 0.88 MAPT (0.43) ALDH1A1KDM4EHPGDHTTGAA
SCHEMBL453829 0.87 MAPT (0.48) ALDH1A1KDM4EHPGDLMNAKMT2A

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 2 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 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 ALDH1A1 3161/4885KDM4E 3717/4885HPGD 729/4885

“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.