SCHEMBL450534

SCHEMBL450534

Cc1ccc(-n2c(CNC(=O)c3ccccc3)nc3ccccc3c2=O)c(C)c1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.60
HTR7 P34969 7/20 0.59
MAPT P10636 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
KDM4E B2RXH2 1/20 0.58
PIK3CD O00329 1/20 0.52
PDE10A Q9Y233 1/20 0.48
HTT P42858 1/20 0.48
TDO2 P48775 1/20 0.47
IDO2 Q6ZQW0 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL449318 0.92 HTR7 (0.54) ALDH1A1HTR7MAPTSMN1; SMN2KDM4E
SCHEMBL449257 0.92 HTR7 (0.54) ALDH1A1HTR7MAPTSMN1; SMN2KDM4E
SCHEMBL454025 0.86 ALDH1A1 (0.60) ALDH1A1HTR7MAPTSMN1; SMN2KDM4E
SCHEMBL451951 0.85 HTR7 (0.53) ALDH1A1HTR7MAPTSMN1; SMN2KDM4E
SCHEMBL450438 0.85 ALDH1A1 (0.67) ALDH1A1HTR7MAPTSMN1; SMN2KDM4E
SCHEMBL449747 0.83 HTR7 (0.55) ALDH1A1HTR7MAPTSMN1; SMN2KDM4E
SCHEMBL1554547 0.82 ALDH1A1 (0.63) ALDH1A1HTR7MAPTSMN1; SMN2KDM4E
SCHEMBL1554549 0.81 ALDH1A1 (0.65) ALDH1A1HTR7MAPTSMN1; SMN2KDM4E
SCHEMBL4582221 0.80 ALDH1A1 (0.70) ALDH1A1HTR7MAPTSMN1; SMN2KDM4E
SCHEMBL450707 0.79 ALDH1A1 (0.62) ALDH1A1HTR7MAPTSMN1; SMN2KDM4E

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-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-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
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 (2 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 3161/4885HTR7 1136/4885MAPT 4075/4885
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 ALDH1A1 3161/4885HTR7 1136/4885MAPT 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.