SCHEMBL2580937

SCHEMBL2580937

COc1ccc(CN2C(=O)Cc3ccccc3C2=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 1.00
MEN1 O00255 4/20 1.00
APAF1 O14727 3/20 1.00
CASP3 P42574 2/20 1.00
GAA P10253 2/20 1.00
SENP8 Q96LD8 1/20 1.00
SENP7 Q9BQF6 1/20 1.00
SENP6 Q9GZR1 1/20 1.00
ALDH1A1 P00352 3/20 0.72
MAPT P10636 3/20 0.72
HPGD P15428 1/20 0.72
CASP6 P55212 1/20 0.61
KDM4E B2RXH2 1/20 0.58
CASP1 P29466 1/20 0.53
RAB9A P51151 1/20 0.53
BLM P54132 1/20 0.53
CASP7 P55210 1/20 0.53
HSD17B10 Q99714 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53

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
SCHEMBL3851940 0.87 MEN1 (0.77) KMT2AMEN1APAF1CASP3GAA
SCHEMBL2586644 0.84 KMT2A (1.00) KMT2AMEN1APAF1CASP3GAA
SCHEMBL29609544 0.84 KMT2A (1.00) KMT2AMEN1APAF1CASP3GAA
SCHEMBL14938439 0.83 MEN1 (0.71) KMT2AMEN1APAF1CASP3GAA
SCHEMBL12177051 0.83 KMT2A (0.71) KMT2AMEN1APAF1CASP3GAA
SCHEMBL15627434 0.83 MEN1 (0.70) KMT2AMEN1APAF1CASP3GAA
SCHEMBL45154 0.82 CASP3 (0.88) KMT2AMEN1APAF1CASP3GAA
SCHEMBL30296449 0.82 CASP3 (0.88) KMT2AMEN1APAF1CASP3GAA
SCHEMBL15276187 0.82 KMT2A (0.70) KMT2AMEN1APAF1CASP3GAA
SCHEMBL2419059 0.82 MEN1 (0.70) KMT2AMEN1APAF1CASP3GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10653676-B2 Small molecule inhibitors of USP1 deubiquitinating enzyme activity DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-05-19 US disclosed
US-20170202810-A1 SMALL MOLECULE INHIBITORS OF USP1 DEUBIQUITINATING ENZYME ACTIVITY DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-07-20 US disclosed
US-9518032-B2 Small molecule inhibitors of USP1 deubiquitinating enzyme activity DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-12-13 US disclosed
US-20130253005-A1 SMALL MOLECULE INHIBITORS OF USP1 DEUBIQUITINATING ENZYME ACTIVITY THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2013-09-26 US disclosed
WO-2011137320-A2 SMALL MOLECULE INHIBITORS OF USP1 DEUBIQUITINATING ENZYME ACTIVITY DANA-FARBER CANCER INSTITUTE, INC. (US) 2011-11-03 WO disclosed
US-6583144-B2 Piperazine substituted isoquinoline, 1,3-benzoxazine, or 1,3-benzothiazine derivatives; inhibitors against the biosynthesis of triglycerides and secretion of apolipoprotein b and treatment of hyperlipidemia MEIJI SEIKA KAISHA, LTD. (JP) 2003-06-24 US disclosed
US-20020156276-A1 Nitrogen-containing heterocyclic compounds and therapeutic agents for hyperlipidemia comprising the same OHKURA NAOTO (JP) 2002-10-24 US disclosed
US-6417362-B1 PIPERAZINE DERIVATIVES; ARTERIOSCLEROSIS, PANCREATITIS, AND CARDIOVASCULAR DISORDER TREATMENT; SIDE EFFECT REDUCTION MEIJI SEIKA KAISHA, LTD. (JP) 2002-07-09 US disclosed
EP-0999208-A1 NITROGENOUS HETEROCYCLIC COMPOUNDS AND HYPERLIPEMIA REMEDY CONTAINING THE SAME MEIJI SEIKA KAISHA LTD. (JP) 2000-05-10 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 (4 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-20130253005-A1 SMALL MOLECULE INHIBITORS OF USP1 DEUBIQUITINATING ENZYME ACTIVITY USP1, USP2, USP28 KMT2A 639/4885MEN1 2034/4885APAF1 492/4885
US-20020156276-A1 Nitrogen-containing heterocyclic compounds and therapeutic agents for hyperlipidemia comprising the same APOB, PNLIP, NR1H2 KMT2A 2537/4885MEN1 3991/4885APAF1 4183/4885
US-10653676-B2 Small molecule inhibitors of USP1 deubiquitinating enzyme activity USP1, USP2, USP28 KMT2A 639/4885MEN1 2034/4885APAF1 492/4885
US-20170202810-A1 SMALL MOLECULE INHIBITORS OF USP1 DEUBIQUITINATING ENZYME ACTIVITY USP1, USP2, USP28 KMT2A 639/4885MEN1 2034/4885APAF1 492/4885

“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.