SCHEMBL450086

SCHEMBL450086

COc1ccccc1-n1c(C(C)N(C)C(=O)c2ccc(C(C)(C)C)cc2)nc2ccccc2c1=O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 2/20 0.45
TSHR P16473 2/20 0.45
MAPK1 P28482 1/20 0.45
TP53 P04637 2/20 0.45
LMNA P02545 2/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.42
CXCR3 P49682 3/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HTR7 P34969 1/20 0.40

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
SCHEMBL451493 0.86 CXCR3 (0.50) MAPK1CXCR3
SCHEMBL451318 0.86 CXCR3 (0.49) MAPK1CXCR3
SCHEMBL1552961 0.86 CXCR3 (0.54) ALDH1A1LMNAMEN1KMT2ARAB9A
SCHEMBL449346 0.84 SMN1; SMN2 (0.51) ALDH1A1TSHRTP53MEN1KMT2A
SCHEMBL448957 0.84 CXCR3 (0.57) CXCR3
SCHEMBL450418 0.83 SMN1; SMN2 (0.45) L3MBTL1ALDH1A1TSHRMAPK1TP53
SCHEMBL452391 0.83 CXCR3 (0.52) ALDH1A1MAPK1CXCR3POLBSMN1; SMN2
SCHEMBL452607 0.82 L3MBTL1 (0.47) L3MBTL1ALDH1A1TSHRMAPK1TP53
SCHEMBL451411 0.82 ACKR3 (0.45) ALDH1A1MEN1KMT2AMAPTCXCR3
SCHEMBL451143 0.82 CXCR3 (0.51) ALDH1A1TSHRMAPK1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 L3MBTL1 4767/4885ALDH1A1 3161/4885TSHR 518/4885
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 L3MBTL1 4767/4885ALDH1A1 3161/4885TSHR 518/4885

“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.