SCHEMBL452102

SCHEMBL452102

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

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
MAPT P10636 3/20 0.58
LMNA P02545 3/20 0.58
HTT P42858 2/20 0.58
KDM4E B2RXH2 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
POLB P06746 1/20 0.50
HTR7 P34969 3/20 0.46
TDO2 P48775 1/20 0.44
IDO2 Q6ZQW0 1/20 0.44
ALOX15 P16050 1/20 0.41
HTR6 P50406 1/20 0.41

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
SCHEMBL450526 0.93 ALDH1A1 (0.67) ALDH1A1MAPTLMNAHTTKDM4E
SCHEMBL450707 0.92 ALDH1A1 (0.62) ALDH1A1MAPTLMNAHTTKDM4E
SCHEMBL453883 0.87 ALDH1A1 (0.58) ALDH1A1MAPTLMNAHTTKDM4E
SCHEMBL450854 0.83 ALDH1A1 (0.52) ALDH1A1MAPTLMNAHTTKDM4E
SCHEMBL449257 0.83 HTR7 (0.54) ALDH1A1MAPTLMNAKDM4ESMN1; SMN2
SCHEMBL450438 0.79 ALDH1A1 (0.67) ALDH1A1MAPTLMNAKDM4ESMN1; SMN2
SCHEMBL451472 0.79 ALDH1A1 (0.57) ALDH1A1MAPTLMNAHTTHTR7
SCHEMBL1554547 0.76 ALDH1A1 (0.63) ALDH1A1MAPTLMNAKDM4ESMN1; SMN2
SCHEMBL450534 0.76 ALDH1A1 (0.60) ALDH1A1MAPTLMNAHTTKDM4E
SCHEMBL451679 0.76 ALDH1A1 (0.52) ALDH1A1MAPTLMNAKDM4ESMN1; 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8748440-B2 Quinazolinone modulators of nuclear receptors EXELIXIS, INC. (US) 2014-06-10 US claimed
US-20120064025-A1 Quinazolinone Modulators Of Nuclear Receptors EXELIXIS, INC. (US) 2012-03-15 US claimed
EP-1521746-B1 QUINAZOLINONE MODULATORS OF NUCLEAR RECEPTORS X CEPTOR THERAPEUTICS INC (US) 2011-04-27 EP claimed
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 3161/4885MAPT 4075/4885LMNA 3754/4885
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 ALDH1A1 3161/4885MAPT 4075/4885LMNA 3754/4885

“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.