SCHEMBL454261

SCHEMBL454261

Cc1ccc(-n2c(C(C)N(C)C(=O)c3ccc4c(c3)OCO4)nc3ccccc3c2=O)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.48
KDM4E B2RXH2 5/20 0.45
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
GAA P10253 3/20 0.44
HPGD P15428 2/20 0.44
HTT P42858 2/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HCRTR1 O43613 1/20 0.42
PPARG P37231 1/20 0.42
NCOA2 Q15596 1/20 0.42
NCOA1 Q15788 1/20 0.42
LMNA P02545 2/20 0.40
USP2 O75604 1/20 0.40
HTR7 P34969 1/20 0.39
TSHR P16473 1/20 0.39
TDO2 P48775 1/20 0.39
IDO2 Q6ZQW0 1/20 0.39
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
SCHEMBL448885 0.89 ALDH1A1 (0.54) ALDH1A1KDM4EMAPTSMN1; SMN2GAA
SCHEMBL450532 0.87 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTSMN1; SMN2GAA
SCHEMBL449751 0.87 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTSMN1; SMN2GAA
SCHEMBL450418 0.86 SMN1; SMN2 (0.45) ALDH1A1KDM4EMAPTSMN1; SMN2HPGD
SCHEMBL451852 0.83 ALDH1A1 (0.45) ALDH1A1KDM4EMAPTSMN1; SMN2GAA
SCHEMBL449456 0.83 ALDH1A1 (0.45) ALDH1A1KDM4EMAPTSMN1; SMN2GAA
SCHEMBL452237 0.83 ALDH1A1 (0.45) ALDH1A1KDM4EMAPTSMN1; SMN2GAA
SCHEMBL450964 0.83 ALDH1A1 (0.51) ALDH1A1KDM4EMAPTSMN1; SMN2GAA
SCHEMBL451864 0.83 HPGD (0.52) ALDH1A1KDM4EMAPTSMN1; SMN2GAA
SCHEMBL449305 0.82 ALDH1A1 (0.44) ALDH1A1KDM4EMAPTSMN1; SMN2GAA

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 3717/4885MAPT 4075/4885

“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.