SCHEMBL454025

SCHEMBL454025

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

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
KDM4E B2RXH2 4/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
GAA P10253 3/20 0.60
HTR7 P34969 3/20 0.53
MAPT P10636 3/20 0.51
TP53 P04637 2/20 0.51
LMNA P02545 1/20 0.49
PIK3CD O00329 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
TSHR P16473 1/20 0.47
NPC1 O15118 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL450534 0.86 ALDH1A1 (0.60) ALDH1A1KDM4ESMN1; SMN2HTR7MAPT
SCHEMBL451864 0.84 HPGD (0.52) ALDH1A1KDM4ESMN1; SMN2GAAHTR7
SCHEMBL449318 0.83 HTR7 (0.54) ALDH1A1KDM4ESMN1; SMN2HTR7MAPT
SCHEMBL449257 0.83 HTR7 (0.54) ALDH1A1KDM4ESMN1; SMN2HTR7MAPT
SCHEMBL449587 0.81 SMN1; SMN2 (0.60) ALDH1A1KDM4ESMN1; SMN2GAAHTR7
SCHEMBL454261 0.78 ALDH1A1 (0.48) ALDH1A1KDM4ESMN1; SMN2GAAHTR7
SCHEMBL451951 0.77 HTR7 (0.53) ALDH1A1KDM4ESMN1; SMN2HTR7MAPT
SCHEMBL450438 0.76 ALDH1A1 (0.67) ALDH1A1KDM4ESMN1; SMN2HTR7MAPT
SCHEMBL449747 0.75 HTR7 (0.55) ALDH1A1KDM4ESMN1; SMN2HTR7MAPT
SCHEMBL1554547 0.74 ALDH1A1 (0.63) ALDH1A1KDM4ESMN1; SMN2GAAHTR7

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 3717/4885SMN1; SMN2 4873/4885

“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.