SCHEMBL2593323

SCHEMBL2593323

O=c1c2ccccc2ccn1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
DDB1 Q16531 1/20 0.46
CRBN Q96SW2 1/20 0.46
MAPK1 P28482 1/20 0.45
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 3/20 0.43
LMNA P02545 3/20 0.43
MPI P34949 3/20 0.43
NPSR1 Q6W5P4 3/20 0.43
PMM2 O15305 2/20 0.43
MAPT P10636 2/20 0.43
G6PD P11413 2/20 0.43
PKM P14618 2/20 0.43
HPGD P15428 2/20 0.43
ALOX12 P18054 2/20 0.43
PHOSPHO1 Q8TCT1 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
MEN1 O00255 1/20 0.43
QSOX1 O00391 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
SCHEMBL29431541 1.00 KDM4E (0.47) KDM4EDDB1CRBNMAPK1TSHR
SCHEMBL15525421 0.85 ESR1 (0.46) KDM4EMAPK1ALDH1A1LMNAMAPT
SCHEMBL6185728 0.85 METAP2 (0.49) KDM4ESMN1; SMN2ALDH1A1LMNAMPI
SCHEMBL13659159 0.85 SMN1; SMN2 (0.43) KDM4ESMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL29809422 0.85 METAP2 (0.49) KDM4ESMN1; SMN2ALDH1A1LMNAMPI
SCHEMBL13659161 0.85 NPC1 (0.54) KDM4ESMN1; SMN2LMNAPKMMEN1
SCHEMBL20887041 0.85 BIRC5 (0.59) KDM4EMAPK1TSHRSMN1; SMN2ALDH1A1
SCHEMBL20887040 0.85 BIRC5 (0.39) KDM4ESMN1; SMN2ALDH1A1LMNAPKM
SCHEMBL20887039 0.85 LMNA (0.51) KDM4EALDH1A1LMNAMPIPMM2
SCHEMBL14912462 0.85 MEN1 (0.43) KDM4EMAPK1SMN1; SMN2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4420308-A Process for the production of reserve effects on polyester textiles and polyester/cellulose mixed fibre textiles: discharge printing with disperse azo dye with alkyl or alkoxy carbonyl, cyand and hydroxy phenyl group CASSELLA AKTIENGESELLSCHAFT (DE) 1983-12-13 US claimed
EP-3956320-B1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH INC (US) 2023-11-29 EP disclosed
US-11753393-B2 Dihydroorotate dehydrogenase inhibitors JANSSEN BIOTECH, INC. 2023-09-12 US disclosed
US-11505536-B2 Dihydroorotate dehydrogenase inhibitors JANSSEN BIOTECH, INC. 2022-11-22 US disclosed
CN-112876413-B Preparation and antiviral activity of 2- (isoquinoline-1 (2H) -ketone-4-yl) difluoro acetyl derivative 南开大学 2022-10-28 CN disclosed
US-20220298137-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH INC (US) 2022-09-22 US disclosed
CN-112876413-A Preparation and antiviral activity of 2- (isoquinoline-1 (2H) -ketone-4-yl) difluoro acetyl derivative 南开大学 2021-06-01 CN disclosed
US-20200331881-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH, INC. 2020-10-22 US disclosed
US-10562915-B2 Bromodomain inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2020-02-18 US disclosed
US-20180273547-A1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RES INC (US) 2018-09-27 US disclosed
US-20130116277-A1 ALDO-KETO REDUCTASE SUBFAMILY 1C3 (AKR1C3) INHIBITORS DALTON JAMES T (US) 2013-05-09 US disclosed
EP-2566330-A1 NUCLEAR RECEPTOR BINDING AGENTS Gtx, Inc. (US) 2013-03-13 EP disclosed
WO-2011140228-A1 NUCLEAR RECEPTOR BINDING AGENTS GTX, INC. (US) 2011-11-10 WO disclosed
US-20100267767-A1 NUCLEAR RECEPTOR BINDING AGENTS GTX, INC. 2010-10-21 US disclosed
US-20100267767-A1 NUCLEAR RECEPTOR BINDING AGENTS GTX, INC. 2010-10-21 US disclosed
US-20090264403-A1 NOVEL AZACYCLYL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2009-10-22 US disclosed
US-20090082391-A1 NOVEL AMINOALCOHOL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2009-03-26 US disclosed
US-20090030036-A1 Nuclear receptor binding agents GTX, INC. 2009-01-29 US disclosed
US-20090030036-A1 Nuclear receptor binding agents GTX, INC. 2009-01-29 US disclosed
US-4420308-A Process for the production of reserve effects on polyester textiles and polyester/cellulose mixed fibre textiles: discharge printing with disperse azo dye with alkyl or alkoxy carbonyl, cyand and hydroxy phenyl group CASSELLA AKTIENGESELLSCHAFT (DE) 1983-12-13 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 (11 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-11753393-B2 Dihydroorotate dehydrogenase inhibitors DHODH, DLD, DPYD KDM4E 1797/4885DDB1 443/4885CRBN 4715/4885
US-11505536-B2 Dihydroorotate dehydrogenase inhibitors DHODH, DLD, DPYD KDM4E 1797/4885DDB1 443/4885CRBN 4715/4885
US-10562915-B2 Bromodomain inhibitors BRD3, EP300, BRPF3 KDM4E 137/4885DDB1 228/4885CRBN 229/4885
US-20220298137-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS DHODH, DLD, DPYD KDM4E 1797/4885DDB1 443/4885CRBN 4715/4885
US-20090082391-A1 NOVEL AMINOALCOHOL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS MCHR1, AHR, MCHR2 KDM4E 889/4885DDB1 3165/4885CRBN 3694/4885
US-20130116277-A1 ALDO-KETO REDUCTASE SUBFAMILY 1C3 (AKR1C3) INHIBITORS AKR1C3, AKR1C1, AKR1C2 KDM4E 901/4885DDB1 1971/4885CRBN 3199/4885
US-20200331881-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS DHODH, DLD, DPYD KDM4E 1797/4885DDB1 443/4885CRBN 4715/4885
US-20090030036-A1 Nuclear receptor binding agents NR0B1, NR2E3, NR0B2 KDM4E 4528/4885DDB1 581/4885CRBN 1027/4885
US-20090264403-A1 NOVEL AZACYCLYL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS MCHR1, MRGPRX1, MRGPRX4 KDM4E 463/4885DDB1 2882/4885CRBN 2763/4885
US-20180273547-A1 BROMODOMAIN INHIBITORS BRD3, EP300, BRPF3 KDM4E 137/4885DDB1 228/4885CRBN 229/4885
US-20100267767-A1 NUCLEAR RECEPTOR BINDING AGENTS FABP1, FABP4, ADIPOR2 KDM4E 3216/4885DDB1 1996/4885CRBN 3450/4885

“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.