SCHEMBL450418

SCHEMBL450418

COc1ccccc1-n1c(C(C)N(C)C(=O)c2ccc3c(c2)OCO3)nc2ccccc2c1=O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 3/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
TP53 P04637 2/20 0.42
USP2 O75604 1/20 0.42
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
CTNNB1 P35222 1/20 0.41
WNT3A P56704 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
SCHEMBL449751 0.88 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1MEN1KMT2ALMNA
SCHEMBL448566 0.88 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1MAPK1MEN1KMT2A
SCHEMBL454573 0.87 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1MAPK1L3MBTL1MEN1
SCHEMBL454261 0.86 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1MEN1KMT2ALMNA
SCHEMBL450532 0.85 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1MEN1KMT2ALMNA
SCHEMBL448885 0.85 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1MAPK1MEN1KMT2A
SCHEMBL452237 0.84 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1MEN1KMT2ALMNA
SCHEMBL451852 0.84 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1MAPK1MEN1KMT2A
SCHEMBL449456 0.84 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1MEN1KMT2ALMNA
SCHEMBL450086 0.83 L3MBTL1 (0.47) SMN1; SMN2ALDH1A1MAPK1L3MBTL1MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20120064025-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 SMN1; SMN2 4873/4885ALDH1A1 3161/4885MAPK1 3043/4885

“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.