SCHEMBL448342

SCHEMBL448342

COc1ccc(-n2c(C(C)N(C)C(=O)c3ccc4c(c3)OCO4)nc3c(C)cccc3c2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
MAPT P10636 4/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
USP2 O75604 4/20 0.43
HTT P42858 1/20 0.43
EDNRA P25101 2/20 0.41
TSHR P16473 2/20 0.41
KMT2A Q03164 2/20 0.41
NPY1R P25929 1/20 0.41
NPY2R P49146 1/20 0.41
BCHE P06276 1/20 0.39
TP53 P04637 2/20 0.39
CXCR3 P49682 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL451391 0.92 SMN1; SMN2 (0.45) SMN1; SMN2MAPTKDM4EALDH1A1LMNA
SCHEMBL448509 0.92 SMN1; SMN2 (0.44) SMN1; SMN2MAPTKDM4EALDH1A1LMNA
SCHEMBL450570 0.88 SMN1; SMN2 (0.43) SMN1; SMN2MAPTKDM4EALDH1A1LMNA
SCHEMBL448566 0.88 ALDH1A1 (0.56) SMN1; SMN2MAPTKDM4EALDH1A1LMNA
SCHEMBL449367 0.85 SMN1; SMN2 (0.47) SMN1; SMN2MAPTKDM4EALDH1A1LMNA
SCHEMBL452808 0.85 SMN1; SMN2 (0.47) SMN1; SMN2MAPTKDM4EALDH1A1LMNA
SCHEMBL451808 0.85 SMN1; SMN2 (0.45) SMN1; SMN2MAPTKDM4EALDH1A1LMNA
SCHEMBL452955 0.83 SMN1; SMN2 (0.43) SMN1; SMN2MAPTKDM4EALDH1A1LMNA
SCHEMBL454697 0.83 CXCR3 (0.41) SMN1; SMN2MAPTKDM4EALDH1A1LMNA
SCHEMBL449181 0.83 PDE10A (0.47) SMN1; SMN2MAPTKDM4EALDH1A1LMNA

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 4873/4885MAPT 4075/4885KDM4E 3717/4885

“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.