SCHEMBL597347

SCHEMBL597347

c1ccc(-c2ccsc2)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.52
LMNA P02545 3/20 0.52
CCR1 P32246 2/20 0.52
CCR5 P51681 2/20 0.52
CCR8 P51685 2/20 0.52
CYP1A2 P05177 1/20 0.52
POLB P06746 1/20 0.52
METAP1 P53582 1/20 0.52
BLM P54132 1/20 0.52
HIF1A Q16665 1/20 0.52
DOHH Q9BU89 1/20 0.52
P4HTM Q9NXG6 1/20 0.52
NPC1 O15118 4/20 0.51
CYP2A6 P11509 3/20 0.50
CYP2B6 P20813 2/20 0.50
CYP2E1 P05181 1/20 0.50
CHRNA7 P36544 4/20 0.49
RAB9A P51151 3/20 0.48
MAPT P10636 2/20 0.48
GLA P06280 1/20 0.48

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
SCHEMBL29723603 1.00 KDM4E (0.52) KDM4ELMNACCR1CCR5CCR8
SCHEMBL3257828 0.90 CYP2A6 (0.55) KDM4ELMNACCR1CCR5CCR8
SCHEMBL4359878 0.82 CCR1 (0.51) KDM4ELMNACCR1CCR5CCR8
SCHEMBL21562299 0.77 CYP2A6 (0.42) NPC1CYP2A6CYP2B6CHRNA7RAB9A
SCHEMBL7470097 0.76 CYP2A6 (0.50) NPC1CYP2A6CYP2B6CYP2E1CHRNA7
Thiophene SCHEMBL27789802 0.75 KDM4E (0.52) KDM4ELMNACCR1CCR5CCR8
SCHEMBL1566968 0.74 KDM4E (0.72) KDM4ELMNACCR1CCR5CCR8
SCHEMBL30989133 0.74 KDM4E (0.72) KDM4ELMNACCR1CCR5CCR8
SCHEMBL30989132 0.74 KDM4E (0.72) KDM4ELMNACCR1CCR5CCR8
SCHEMBL1445303 0.73 CYP11B1 (0.44) NPC1CYP2A6CYP2B6CYP2E1CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8115379-B2 Use of metal complexes as emitter in an organic light-emitting component and such a component NOVALED AG (DE) 2012-02-14 US claimed
US-20090318698-A1 Use of Metal Complexes as Emitter in an Organic Light-Emitting Component and such a Component NOVALED AG (DE) 2009-12-24 US claimed
US-20020025477-A1 Non-aqueous electrolytic solution and secondary battery containing same MITSUBISHI CHEMICAL CORPORATION (JP) 2002-02-28 US claimed
EP-1172878-A2 Non-aqueous electrolytic solution and secondary battery containing same MITSUBISHI CHEMICAL CORPORATION (JP) 2002-01-16 EP claimed
CN-114269756-B 4-Oxo-3, 4-dihydropyrido [3,4-D ] pyrimidine compounds that inhibit EIF4E 效应疗法股份有限公司 2024-05-14 CN disclosed
CN-114667280-A Acrylamide compound 大塚制药株式会社 2022-06-24 CN disclosed
CN-114269756-A 4-oxo-3, 4-dihydropyrido [3,4-D ] pyrimidine compounds inhibiting EIF4E 效应疗法股份有限公司 2022-04-01 CN disclosed
CN-107207472-A Inhibitors of AKT kinase 卑尔根生物股份公司 2017-09-26 CN disclosed
CN-104755460-B N-acylhydrazone derivatives for selective T cell inhibitor and anti-lymphoid malignancy drug 株式会社钟根堂 2017-05-10 CN disclosed
CN-104011046-B Aminopyrimidine kinase inhibitors 嘉世高制药公司 2017-05-03 CN disclosed
US-20150373978-A1 NOVEL HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER IP GMBH (DE) 2015-12-31 US disclosed
US-9173396-B2 Heterocyclic compounds as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-03 US disclosed
CN-1158854-A Borate cointiators for photopolymerization CIBA GEIGY AG (CH) 1997-09-10 CN disclosed
EP-0165753-B1 HERBICIDAL THIOPHENESULFONAMIDES AND PYRIDINESULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-12-11 EP disclosed
EP-0175541-B1 AMINOALKOXYBENZOPYRANONES AND PROCESSES FOR THE PRODUCTION THEREOF WARNER-LAMBERT COMPANY (US) 1989-02-22 EP disclosed
US-4723988-A PLANT GROWTH REGULATORS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1988-02-09 US disclosed
US-4701456-A SCHIZOPHRENIA WARNER-LAMBERT COMPANY (US) 1987-10-20 US disclosed
US-4684393-A PLATN GROWTH REGULATORS E. I. DUPONT DE NEMOURS AND COMPANY (US) 1987-08-04 US disclosed
EP-0175541-A1 Aminoalkoxybenzopyranones and processes for the production thereof WARNER-LAMBERT COMPANY (US) 1986-03-26 EP disclosed
EP-0165753-A2 Herbicidal thiophenesulfonamides and pyridinesulfonamides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1985-12-27 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 (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-20090318698-A1 Use of Metal Complexes as Emitter in an Organic Light-Emitting Component and such a Component CACNG2, CACNG3, CACNG4 KDM4E 1339/4885LMNA 992/4885CCR1 3826/4885
US-20150373978-A1 NOVEL HETEROCYCLIC COMPOUNDS AS PESTICIDES DDT, ACHE, PTMS KDM4E 1664/4885LMNA 2977/4885CCR1 3309/4885

“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.