SCHEMBL451864

SCHEMBL451864

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

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.52
ALDH1A1 P00352 6/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 4/20 0.46
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GAA P10253 4/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
HCRTR1 O43613 1/20 0.45
PPARG P37231 1/20 0.45
NCOA2 Q15596 1/20 0.45
NCOA1 Q15788 1/20 0.45
PDE10A Q9Y233 1/20 0.44
RAB9A P51151 1/20 0.44
HTR7 P34969 2/20 0.43

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
SCHEMBL454025 0.84 ALDH1A1 (0.60) ALDH1A1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL451679 0.83 ALDH1A1 (0.52) HPGDALDH1A1MEN1KMT2AKDM4E
SCHEMBL454261 0.83 ALDH1A1 (0.48) HPGDALDH1A1MEN1KMT2AKDM4E
SCHEMBL447864 0.73 ALDH1A1 (0.61) HPGDALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL448885 0.73 ALDH1A1 (0.54) HPGDALDH1A1MEN1KMT2AKDM4E
SCHEMBL1554549 0.72 ALDH1A1 (0.65) HPGDALDH1A1KMT2AKDM4EMAPT
SCHEMBL4582221 0.71 ALDH1A1 (0.70) HPGDALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL450956 0.71 ALDH1A1 (0.57) HPGDALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL450045 0.71 ALDH1A1 (0.57) HPGDALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL450532 0.71 ALDH1A1 (0.46) HPGDALDH1A1MEN1KMT2AKDM4E

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 HPGD 729/4885ALDH1A1 3161/4885MEN1 4424/4885

“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.