SCHEMBL4094356

SCHEMBL4094356

COc1ccc(-c2ccncc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.71
USP2 O75604 1/20 0.71
NPC1 O15118 3/20 0.61
CYP17A1 P05093 2/20 0.61
RAB9A P51151 2/20 0.59
CYP3A4 P08684 3/20 0.59
CYP2D6 P10635 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2C9 P11712 1/20 0.59
HPGD P15428 1/20 0.59
CYP2C19 P33261 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
DYRK1A Q13627 2/20 0.59
ESR2 Q92731 1/20 0.56
CLK4 Q9HAZ1 1/20 0.56
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA7 P43166 1/20 0.55
CA9 Q16790 1/20 0.55

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
SCHEMBL29733664 1.00 KDM4E (0.71) KDM4EUSP2NPC1CYP17A1RAB9A
SCHEMBL29069510 0.88 CYP1A2 (0.81) KDM4EUSP2NPC1RAB9ACYP3A4
SCHEMBL14547341 0.88 CYP17A1 (0.71) KDM4EUSP2NPC1CYP17A1RAB9A
SCHEMBL29069514 0.88 CYP1A2 (0.81) KDM4EUSP2NPC1RAB9ACYP3A4
SCHEMBL9099431 0.84 CLK4 (0.61) KDM4EUSP2NPC1CYP17A1RAB9A
SCHEMBL9099848 0.84 CLK4 (0.61) KDM4EUSP2NPC1CYP17A1RAB9A
SCHEMBL61315 0.84
SCHEMBL8213963 0.84 CYP1A2 (0.62) KDM4EUSP2NPC1CYP17A1RAB9A
SCHEMBL6733562 0.84 CA1 (0.79) KDM4ENPC1RAB9ACYP3A4SMN1; SMN2
SCHEMBL197522 0.84 CA1 (0.79) KDM4ENPC1RAB9ACYP3A4SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120136777-A C4-aryl pyridine iodized salt organic room-temperature phosphorescent material, and preparation method and application thereof 天津师范大学 2025-06-13 CN disclosed
CN-119409858-A Protonated product of pyridine derivative and compound, preparation method and application thereof 天津师范大学 2025-02-11 CN disclosed
US-11649253-B2 Terbium and dysprosium complexes with optimised antenna, used as luminescent markers ECOLE NORMALE SUPERIEURE DE LYON (FR) 2023-05-16 US disclosed
US-20200284946-A1 ORGANIC OPTICAL MATERIAL JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2020-09-10 US disclosed
WO-2020163917-A1 PHOTOPERIODIC CONTROL OF PHYTOCHROME WITH MATERIALS Lleaf Pty Ltd (AU) 2020-08-20 WO disclosed
EP-3674381-A1 ORGANIC OPTICAL MATERIAL Japan Science and Technology Agency (JP) 2020-07-01 EP disclosed
US-10370333-B2 Sulfonamide compounds and uses as TNAP inhibitors SANFORD-BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE (US) 2019-08-06 US disclosed
US-10370333-B2 Sulfonamide compounds and uses as TNAP inhibitors SANFORD-BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE (US) 2019-08-06 US disclosed
WO-2019028508-A1 \"COMPOUNDS AS POTENTIAL DYE MOLECULES\ Lleaf Pty Ltd (AU) 2019-02-14 WO disclosed
US-20190010126-A1 SULFONAMIDE COMPOUNDS AND USES AS TNAP INHIBITORS Sanford Burnham Prebys Medical Discovery Institute 2019-01-10 US disclosed
US-6071928-A Spiro-piperidine derivatives and their use as therapeutic agents MERCK SHARP & DOHME, LTD. (GB) 2000-06-06 US disclosed
US-6060469-A Spiro-piperidine derivatives and their use as tachykinin antagonists MERCK SHARP & DOHME LTD. (GB) 2000-05-09 US disclosed
EP-0885193-A1 TRIARYL COMPOUNDS Novartis AG (CH) 1998-12-23 EP disclosed
WO-1997032853-A1 TRIARYL COMPOUNDS NOVARTIS AG (CH) 1997-09-12 WO disclosed
WO-1997019084-A1 SPIRO-PIPERIDINE DERIVATIVES AND THEIR USE AS TACHYKININ ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 1997-05-29 WO disclosed
EP-0711290-A1 METHYLGUANIDINE DERIVATIVES, METHODS FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAID DERIVATIVES SANOFI (FR) 1996-05-15 EP disclosed
WO-1995004052-A1 METHYLGUANIDINE DERIVATIVES, METHODS FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAID DERIVATIVES SANOFI (FR) 1995-02-09 WO disclosed
EP-0290591-B1 MATERIALS WITH NITROGENOUS SIX-MEMBERED RINGS MERCK PATENT GmbH (DE) 1991-03-13 EP disclosed
EP-0290591-A1 MATERIALS WITH NITROGENOUS SIX-MEMBERED RINGS. MERCK PATENT GMBH (DE) 1988-11-17 EP disclosed
WO-1988004305-A1 MATERIALS WITH NITROGENOUS SIX-MEMBERED RINGS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1988-06-16 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 (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-10370333-B2 Sulfonamide compounds and uses as TNAP inhibitors TNNI3, TNKS1BP1, TNNT2 KDM4E 1357/4885USP2 1127/4885NPC1 3892/4885
US-20200284946-A1 ORGANIC OPTICAL MATERIAL SLC43A1, SLCO4C1, SLCO1A2 KDM4E 3282/4885USP2 4714/4885NPC1 68/4885
US-20190010126-A1 SULFONAMIDE COMPOUNDS AND USES AS TNAP INHIBITORS TNNI3, TNKS1BP1, TNNT2 KDM4E 1357/4885USP2 1127/4885NPC1 3892/4885
US-11649253-B2 Terbium and dysprosium complexes with optimised antenna, used as luminescent markers SSB, TACR3, MAL2 KDM4E 4758/4885USP2 4657/4885NPC1 3901/4885

“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.