SCHEMBL150458

SCHEMBL150458

O=c1[nH]c(Cl)cc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.60
GAA P10253 3/20 0.60
LOXL2 Q9Y4K0 1/20 0.56
CDC25B P30305 11/20 0.56
APAF1 O14727 6/20 0.56
CASP3 P42574 5/20 0.56
SENP8 Q96LD8 5/20 0.56
SENP7 Q9BQF6 5/20 0.56
ALDH1A1 P00352 5/20 0.56
SENP6 Q9GZR1 4/20 0.56
SAE1 Q9UBE0 4/20 0.56
UBA2 Q9UBT2 4/20 0.56
HPGD P15428 4/20 0.56
THRB P10828 4/20 0.56
MAPT P10636 3/20 0.56
RECQL P46063 2/20 0.56
UBE2I P63279 2/20 0.56
GALK1 P51570 1/20 0.56
SMAD3 P84022 1/20 0.56
ATG4B Q9Y4P1 1/20 0.56

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
SCHEMBL29784203 1.00 KDM4E (0.60) KDM4EGAALOXL2CDC25BAPAF1
SCHEMBL6648718 0.81 MEN1 (0.49) KDM4EGAALOXL2CDC25BAPAF1
SCHEMBL6646947 0.78 PARP1 (0.52) KDM4EALDH1A1LMNASMN1; SMN2PARP1
SCHEMBL6448568 0.75 KDM4E (0.60) KDM4EGAALOXL2CDC25BAPAF1
SCHEMBL824574 0.75 KDM4E (1.00) KDM4EGAALOXL2CDC25BAPAF1
SCHEMBL1687342 0.75 KDM4E (0.60) KDM4EGAALOXL2CDC25BAPAF1
SCHEMBL5311576 0.75 KDM4E (0.60) KDM4EGAALOXL2CDC25BAPAF1
SCHEMBL1818129 0.75 KDM4E (0.60) KDM4EGAALOXL2CDC25BAPAF1
SCHEMBL1719778 0.75 LOXL2 (0.61) KDM4EGAALOXL2CDC25BAPAF1
SCHEMBL29844316 0.75 LOXL2 (0.61) KDM4EGAALOXL2CDC25BAPAF1

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11390610-B2 Piperazine derivatives as MAGL inhibitors HOFFMANN-LA ROCHE INC. (US) 2022-07-19 US disclosed
EP-3694840-B1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS HOFFMANN LA ROCHE (CH) 2021-08-04 EP disclosed
US-20200299277-A1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2020-09-24 US disclosed
EP-3044221-B1 3-ARYL-5-SUBSTITUTED-ISOQUINOLIN-1-ONE COMPOUNDS AND THEIR THERAPEUTIC USE INST OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2018-02-21 EP disclosed
US-9611223-B2 3-aryl-5-substituted-isoquinolin-1-one compounds and their therapeutic use INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2017-04-04 US disclosed
EP-2822656-B1 3-ARYL-5-SUBSTITUTED-ISOQUINOLIN-1-ONE COMPOUNDS AND THEIR THERAPEUTIC USE CANCER RES INST ROYAL (GB) 2016-10-19 EP disclosed
US-20160221953-A1 3-ARYL-5-SUBSTITUTED-ISOQUINOLIN-1-ONE COMPOUNDS AND THEIR THERAPEUTIC USE INSTITUTE OF CANCER RESEARCH ROYAL CANCER HOSPITAL (THE) (GB) 2016-08-04 US disclosed
EP-3044221-A1 3-ARYL-5-SUBSTITUTED-ISOQUINOLIN-1-ONE COMPOUNDS AND THEIR THERAPEUTIC USE Institute of Cancer Research: Royal Cancer Hospital (The) (GB) 2016-07-20 EP disclosed
US-9227966-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-01-05 US disclosed
US-9193689-B2 3-aryl-5-substituted-isoquinolin-1-one compounds and their therapeutic use INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2015-11-24 US disclosed
US-20120059026-A1 ANTIMICROBIAL AGENTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-03-08 US disclosed
WO-2011159926-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2011-12-22 WO disclosed
WO-2011156626-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2011-12-15 WO disclosed
WO-2010127307-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2010-11-04 WO disclosed
US-7049473-B2 Hydroformylation BASF AKTIENGESELLSCHAFT (DE) 2006-05-23 US disclosed
EP-1486481-A2 Hydroformylation process BASF AKTIENGESELLSCHAFT (DE) 2004-12-15 EP disclosed
US-20040199024-A1 Using catalyst containing transition metal and ligand; reacting carbon monoxide and hydrogen BASF AKTIENGESELLSCHAFT (DE) 2004-10-07 US disclosed
US-20040176361-A1 Fused heterocyclic compound and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2004-09-09 US disclosed
EP-1396488-A1 FUSED HETEROCYCLIC COMPOUND AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2004-03-10 EP disclosed
US-3961062-A Pharmaceutical composition containing 1-(imidazole-1-yl)-isoquinolines and method of treating hyperlipemia HOECHST AKTIENGESELLSCHAFT (DT) 1976-06-01 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 (6 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-20120059026-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L KDM4E 2001/4885GAA 1316/4885LOXL2 2790/4885
US-11390610-B2 Piperazine derivatives as MAGL inhibitors MAGI3, PYM1, MAG KDM4E 2009/4885GAA 1492/4885LOXL2 181/4885
US-20040176361-A1 Fused heterocyclic compound and medicinal use thereof PARP11, PARP1, CD38 KDM4E 2586/4885GAA 379/4885LOXL2 4680/4885
US-20200299277-A1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS MAGI3, PYM1, MAG KDM4E 2009/4885GAA 1492/4885LOXL2 181/4885
US-20160221953-A1 3-ARYL-5-SUBSTITUTED-ISOQUINOLIN-1-ONE COMPOUNDS AND THEIR THERAPEUTIC USE TNKS, TNKS2, PARP1 KDM4E 1176/4885GAA 2698/4885LOXL2 2061/4885
US-20040199024-A1 Using catalyst containing transition metal and ligand; reacting carbon monoxide and hydrogen NUDT1, PPIP5K2, HAO2 KDM4E 3889/4885GAA 4218/4885LOXL2 3185/4885

“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.