SCHEMBL451199

SCHEMBL451199

COc1cccc(C(=O)N(C)C(C)c2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
TP53 P04637 1/20 0.50
CXCR3 P49682 3/20 0.49
HTR6 P50406 1/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
PSMD14 O00487 1/20 0.44
GAA P10253 1/20 0.44
PDE10A Q9Y233 1/20 0.44
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
DRD4 P21917 1/20 0.43
POLB P06746 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL450119 0.94 CXCR3 (0.55) SMN1; SMN2CXCR3MEN1KMT2APSMD14
SCHEMBL453845 0.90 CXCR3 (0.55) SMN1; SMN2CXCR3HTR6MEN1KMT2A
SCHEMBL449210 0.85 CXCR3 (0.59) CXCR3MEN1KMT2APDE10AALDH1A1
SCHEMBL452466 0.85 POLB (0.58) SMN1; SMN2CXCR3HTR6MEN1KMT2A
SCHEMBL453380 0.83 SMN1; SMN2 (0.53) SMN1; SMN2CXCR3HTR6MEN1KMT2A
SCHEMBL449346 0.82 SMN1; SMN2 (0.51) SMN1; SMN2TP53CXCR3MEN1KMT2A
SCHEMBL451143 0.81 CXCR3 (0.51) SMN1; SMN2CXCR3HTR6MEN1KMT2A
SCHEMBL450828 0.81 POLB (0.58) CXCR3MEN1KMT2APDE10AALDH1A1
SCHEMBL451852 0.81 ALDH1A1 (0.45) SMN1; SMN2CXCR3HTR6MEN1KMT2A
SCHEMBL454573 0.81 SMN1; SMN2 (0.48) SMN1; SMN2TP53CXCR3MEN1KMT2A

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 SMN1; SMN2 4873/4885TP53 4381/4885CXCR3 741/4885
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 SMN1; SMN2 4873/4885TP53 4381/4885CXCR3 741/4885

“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.