SCHEMBL4582219

SCHEMBL4582219

Cc1ccc(-n2c(C(N)=O)nc3ccccc3c2=O)c(C)c1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.69
KDM4E B2RXH2 3/20 0.67
MAPT P10636 3/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
TDO2 P48775 1/20 0.54
IDO2 Q6ZQW0 1/20 0.54
LMNA P02545 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HTR7 P34969 2/20 0.46
HPGD P15428 1/20 0.46
PKMYT1 Q99640 1/20 0.45
GLA P06280 2/20 0.45
GAA P10253 1/20 0.45
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HPD P32754 1/20 0.44
KMT2A Q03164 1/20 0.44
POLB P06746 1/20 0.44
PDE10A Q9Y233 1/20 0.44

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
SCHEMBL1554549 0.82 ALDH1A1 (0.65) ALDH1A1KDM4EMAPTSMN1; SMN2TDO2
SCHEMBL1551501 0.82 ALDH1A1 (1.00) ALDH1A1KDM4EMAPTSMN1; SMN2TDO2
SCHEMBL1553141 0.81 ALDH1A1 (0.63) ALDH1A1KDM4EMAPTSMN1; SMN2TDO2
SCHEMBL4582221 0.79 ALDH1A1 (0.70) ALDH1A1KDM4EMAPTSMN1; SMN2TDO2
SCHEMBL22736780 0.78 ALDH1A1 (0.72) ALDH1A1KDM4EMAPTSMN1; SMN2TDO2
SCHEMBL452032 0.76 ALDH1A1 (0.69) ALDH1A1KDM4EMAPTSMN1; SMN2TDO2
SCHEMBL450438 0.75 ALDH1A1 (0.67) ALDH1A1KDM4EMAPTSMN1; SMN2TDO2
SCHEMBL450561 0.75 ALDH1A1 (0.67) ALDH1A1KDM4EMAPTSMN1; SMN2TDO2
SCHEMBL450534 0.74 ALDH1A1 (0.60) ALDH1A1KDM4EMAPTSMN1; SMN2TDO2
SCHEMBL27663632 0.73 KDM4E (0.61) ALDH1A1KDM4EMAPTSMN1; 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 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-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 (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-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 ALDH1A1 3161/4885KDM4E 3717/4885MAPT 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.