SCHEMBL449751

SCHEMBL449751

CC(c1nc2ccccc2c(=O)n1-c1ccccc1)N(C)C(=O)c1ccc2c(c1)OCO2

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.50
KDM4E B2RXH2 6/20 0.50
LMNA P02545 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
KMT2A Q03164 2/20 0.50
USP2 O75604 2/20 0.50
MEN1 O00255 1/20 0.50
MAPT P10636 4/20 0.48
HPGD P15428 3/20 0.47
GAA P10253 3/20 0.47
HTT P42858 1/20 0.47
CXCR3 P49682 2/20 0.46
HCRTR1 O43613 1/20 0.42
PPARG P37231 1/20 0.42
NCOA2 Q15596 1/20 0.42
NCOA1 Q15788 1/20 0.42

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
SCHEMBL448885 0.95 ALDH1A1 (0.54) ALDH1A1KDM4ELMNASMN1; SMN2KMT2A
SCHEMBL452237 0.94 ALDH1A1 (0.45) ALDH1A1KDM4ELMNASMN1; SMN2KMT2A
SCHEMBL451852 0.94 ALDH1A1 (0.45) ALDH1A1KDM4ELMNASMN1; SMN2KMT2A
SCHEMBL449456 0.94 ALDH1A1 (0.45) ALDH1A1KDM4ELMNASMN1; SMN2KMT2A
SCHEMBL450532 0.93 ALDH1A1 (0.46) ALDH1A1KDM4ELMNASMN1; SMN2KMT2A
SCHEMBL448566 0.92 ALDH1A1 (0.56) ALDH1A1KDM4ELMNASMN1; SMN2KMT2A
SCHEMBL449305 0.92 ALDH1A1 (0.44) ALDH1A1KDM4ELMNASMN1; SMN2KMT2A
SCHEMBL454573 0.92 SMN1; SMN2 (0.48) ALDH1A1KDM4ELMNASMN1; SMN2KMT2A
SCHEMBL449502 0.92 CXCR3 (0.51) CXCR3
SCHEMBL453829 0.90 MAPT (0.48) ALDH1A1KDM4ELMNASMN1; SMN2KMT2A

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 7 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
EP-1521746-A1 QUINAZOLINONE MODULATORS OF NUCLEAR RECEPTORS X-Ceptor Therapeutics, Inc. (US) 2005-04-13 EP disclosed
WO-2003076418-A1 QUINAZOLINONE MODULATORS OF NUCLEAR RECEPTORS X-CEPTOR THERAPEUTICS, INC. (US) 2003-09-18 WO 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 3161/4885KDM4E 3717/4885LMNA 3754/4885
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 ALDH1A1 3161/4885KDM4E 3717/4885LMNA 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.