SCHEMBL449257

SCHEMBL449257

Cc1ccc(-n2c(CNC(=O)c3ccc(C(C)(C)C)cc3)nc3ccccc3c2=O)c(C)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 7/20 0.54
ALDH1A1 P00352 1/20 0.53
MAPT P10636 3/20 0.53
KDM4E B2RXH2 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
LMNA P02545 1/20 0.47
RAB9A P51151 1/20 0.47
PIK3CD O00329 1/20 0.47
ACKR3 P25106 2/20 0.47
NR1H4 Q96RI1 1/20 0.44
PDE10A Q9Y233 1/20 0.44
TP53 P04637 1/20 0.44
RXFP1 Q9HBX9 1/20 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
SCHEMBL450534 0.92 ALDH1A1 (0.60) HTR7ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL449318 0.89 HTR7 (0.54) HTR7ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL451679 0.84 ALDH1A1 (0.52) HTR7ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL454025 0.83 ALDH1A1 (0.60) HTR7ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL452102 0.83 ALDH1A1 (0.58) HTR7ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL451951 0.80 HTR7 (0.53) HTR7ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL450438 0.80 ALDH1A1 (0.67) HTR7ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL452387 0.79 HTR7 (0.59) HTR7ALDH1A1SMN1; SMN2RAB9AACKR3
SCHEMBL449747 0.79 HTR7 (0.55) HTR7ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL1554547 0.77 ALDH1A1 (0.63) HTR7ALDH1A1MAPTKDM4ESMN1; SMN2

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