SCHEMBL818327

SCHEMBL818327

N#Cc1ccc(C#N)c(C#N)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.45
IMPDH1 P20839 1/20 0.45
MAOB P27338 9/20 0.43
MAOA P21397 8/20 0.43
CYP2A6 P11509 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CA12 O43570 1/20 0.42
CA2 P00918 1/20 0.42
CA3 P07451 1/20 0.42
CA6 P23280 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
STS P08842 1/20 0.40
TSHR P16473 1/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
TRPV4 Q9HBA0 2/20 0.38

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
SCHEMBL30488974 1.00 IMPDH2 (0.45) IMPDH2IMPDH1MAOBMAOACYP2A6
SCHEMBL7349772 0.85 IMPDH2 (0.39) IMPDH2IMPDH1MAOBMAOACYP2A6
SCHEMBL16960773 0.85 IMPDH2 (0.39) IMPDH2IMPDH1MAOBMAOACYP2A6
SCHEMBL20364829 0.85 IMPDH2 (0.39) IMPDH2IMPDH1MAOBMAOACYP2A6
SCHEMBL31352953 0.85 IMPDH2 (0.39) IMPDH2IMPDH1MAOBMAOACYP2A6
SCHEMBL9610041 0.84 MAOB (0.41) IMPDH2IMPDH1MAOBMAOAALDH1A1
SCHEMBL4394514 0.82 MAOB (0.39) MAOBMAOAALDH1A1KDM4EUSP2
SCHEMBL16956449 0.82 MAOB (0.39) MAOBMAOAALDH1A1KDM4EUSP2
SCHEMBL2094281 0.82 ALDH1A1 (0.40) IMPDH2IMPDH1CYP2A6ALDH1A1STS
SCHEMBL2094284 0.82 ALDH1A1 (0.63) IMPDH2IMPDH1MAOBMAOAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113522052-B Composite hollow fiber membrane and preparation method and application thereof 中国科学院宁波材料技术与工程研究所 2024-07-16 CN claimed
CN-117239230-A Lithium ion battery electrolyte additive, lithium ion battery electrolyte and preparation method of lithium ion battery electrolyte additive 哈尔滨工业大学 2023-12-15 CN claimed
CN-113522052-A Composite hollow fiber membrane and preparation method and application thereof 中国科学院宁波材料技术与工程研究所 2021-10-22 CN claimed
EP-2382241-B1 POLYMERS FUNCTIONALIZED WITH POLYCYANO COMPOUNDS BRIDGESTONE CORP (JP) 2016-11-23 EP claimed
US-8785566-B2 Polymers functionalized with polycyano compounds BRIDGESTONE CORPORATION (JP) 2014-07-22 US claimed
US-20250309301-A1 Water Forming Reaction Mixtures BRILLIANT LIGHT POWER, INC. (US) 2025-10-02 US disclosed
US-20250015309-A1 ELECTROCHEMICAL HYDROGEN-CATALYST POWER SYSTEM BRILLIANT LIGHT POWER, INC. (US) 2025-01-09 US disclosed
US-20240244950-A1 ORGANIC LIGHT-EMITTING DEVICE AND ELECTRONIC APPARATUS INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2024-07-18 US disclosed
CN-113522052-B Composite hollow fiber membrane and preparation method and application thereof 中国科学院宁波材料技术与工程研究所 2024-07-16 CN disclosed
CN-117239230-B Lithium ion battery electrolyte additive, lithium ion battery electrolyte and preparation method of lithium ion battery electrolyte additive 哈尔滨工业大学 2024-06-04 CN disclosed
CN-117239230-A Lithium ion battery electrolyte additive, lithium ion battery electrolyte and preparation method of lithium ion battery electrolyte additive 哈尔滨工业大学 2023-12-15 CN disclosed
US-20230322673-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2023-10-12 US disclosed
EP-1690865-A1 PORPHYRIN/PHTHALOCYANINE DIMER AND TETRAMER DIRECTLY BONDED AT PI SYSTEM AND PROCESSES FOR PRODUCING THESE National University Corporation Nara Institute of Science and Technology (JP) 2006-08-16 EP disclosed
US-6174635-B1 COMPRISING CONDUCTIVE SUPPORT AND PHOTOSENSITIVE LAYER CONTAINING PHOTOCONDUCTIVE CRYSTALLINE SUBSTITUTED METAL-FREE PHTHALOCYANINE COMPOUND AND/OR MIXED CRYSTALS OF SUBSTITUTED AND SUBSTITUTED METAL FREE PHTHALOCYANINE COMPOUNDS AGFA-GEVAERT, N.V. (BE) 2001-01-16 US disclosed
EP-0573084-B1 Electrophotographic recording material containing phthalocyanines AGFA GEVAERT NV (BE) 1997-04-09 EP disclosed
US-5386051-A Cyanation, defluorination with an alkali metal cyanide to form a chemical intermediates for tetracyanophthalocyanines dyes BAYER AKTIENGESELLSCHAFT (DE) 1995-01-31 US disclosed
EP-0573084-A1 Electrophotographic recording material containing phthalocyanines AGFA-GEVAERT N.V. (BE) 1993-12-08 EP disclosed
EP-0542083-A1 Process for preparation of 1,2,3-tricyanobenzene, phthalocyanines obtainable from 1,2,3-tricyanobenzene and their use as pigments BAYER AG (DE) 1993-05-19 EP disclosed
US-3968152-A HYDROLYSIS OF NITRILE, MULTISTAGE THE LUMMUS COMPANY (US) 1976-07-06 US disclosed
US-3944592-A Method of producing unsaturated nitriles THE BADGER COMPANY, INC. (US) 1976-03-16 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 (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-20230322673-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE L1CAM, CCNL2, CTNND1 IMPDH2 3861/4885IMPDH1 4165/4885MAOB 2443/4885
US-20240244950-A1 ORGANIC LIGHT-EMITTING DEVICE AND ELECTRONIC APPARATUS INCLUDING THE SAME EML4, DNMT3L, LIN28A IMPDH2 2265/4885IMPDH1 2502/4885MAOB 1578/4885

“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.