SCHEMBL18130613

SCHEMBL18130613

CC(NC(=O)OC(C)(C)C)C(=O)N(C)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.41
MEN1 O00255 1/20 0.39
THRB P10828 1/20 0.39
KMT2A Q03164 1/20 0.39
TRPA1 O75762 1/20 0.38
KDM4E B2RXH2 3/20 0.38
HPGD P15428 3/20 0.38
ALDH1A1 P00352 2/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
S1PR3 Q99500 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
MCHR1 Q99705 1/20 0.35
TP53 P04637 1/20 0.35
SUV39H2 Q9H5I1 1/20 0.35

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
SCHEMBL18614015 0.81 KDM4E (0.44) AAK1MEN1KMT2AKDM4EHPGD
SCHEMBL18130579 0.81 GRN (0.41) MEN1KMT2AKDM4EHPGDALDH1A1
SCHEMBL22312263 0.81 CTSS (0.43) AAK1MEN1THRBKMT2ATRPA1
SCHEMBL18130491 0.80 MEN1 (0.48) AAK1MEN1KMT2ATRPA1KDM4E
SCHEMBL8607268 0.76 TRPA1 (0.50) TRPA1CA2
SCHEMBL8607262 0.76 TRPA1 (0.50) TRPA1CA2
SCHEMBL8414853 0.76 NOS3 (0.44) AAK1KDM4EHPGDALDH1A1GAA
SCHEMBL17336558 0.76 ALDH1A1 (0.41) MEN1KMT2AKDM4EHPGDALDH1A1
SCHEMBL22990779 0.75 EGFR (0.44) AAK1KDM4EHPGDALDH1A1GAA
SCHEMBL29697271 0.75 EGFR (0.44) AAK1KDM4EHPGDALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3280707-B1 BICYCLIC QUINAZOLINONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2023-12-20 EP disclosed
US-20200317624-A1 BICYCLIC QUINAZOLINONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2020-10-08 US disclosed
CN-107428754-B Bicyclic quinazolinone derivatives 豪夫迈·罗氏有限公司 2020-07-31 CN disclosed
US-10676446-B2 Bicyclic quinazolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2020-06-09 US disclosed
EP-3280707-A1 BICYCLIC QUINAZOLINONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2018-02-14 EP disclosed
US-20180029996-A1 BICYCLIC QUINAZOLINONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-02-01 US disclosed
WO-2016162390-A1 BICYCLIC QUINAZOLINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2016-10-13 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 (3 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-20200317624-A1 BICYCLIC QUINAZOLINONE DERIVATIVES BRD4, BICRA, NDUFC2 AAK1 2644/4885MEN1 1931/4885THRB 2837/4885
US-20180029996-A1 BICYCLIC QUINAZOLINONE DERIVATIVES BRD4, BICRA, NDUFC2 AAK1 2644/4885MEN1 1931/4885THRB 2837/4885
US-10676446-B2 Bicyclic quinazolinone derivatives BRD4, BICRA, NDUFC2 AAK1 2644/4885MEN1 1931/4885THRB 2837/4885

“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.