Cyanide

Cyanide

SCHEMBL22130246

C#N.C#N.Cn1c(=O)n(C)c2cc(C=NN)ccc21

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 15/20 0.57
▸ KDM4E B2RXH2 10/20 0.57
▸ HPGD P15428 6/20 0.57
▸ CYP1A2 P05177 3/20 0.57
▸ CYP2C9 P11712 3/20 0.57
▸ CYP2C19 P33261 3/20 0.57
▸ HSD17B10 Q99714 2/20 0.57
▸ SMN1; SMN2 Q16637 5/20 0.57
▸ HTT P42858 5/20 0.57
▸ GAA P10253 3/20 0.57
▸ RXFP1 Q9HBX9 2/20 0.48
▸ MAPT P10636 7/20 0.45
▸ CYP3A4 P08684 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ LMNA P02545 1/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ BRD4 O60885 1/20 0.44
▸ BRPF1 P55201 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.42

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
Cyanide SCHEMBL25405741 0.86 KDM4E (0.44) ALDH1A1KDM4EHPGDCYP1A2CYP2C9
Cyanide SCHEMBL25405574 0.86 KDM4E (0.44) ALDH1A1KDM4EHPGDCYP1A2CYP2C9
Cyanide SCHEMBL25407911 0.86 KDM4E (0.44) ALDH1A1KDM4EHPGDCYP1A2CYP2C9
Cyanide SCHEMBL25407957 0.85 KDM4E (0.43) ALDH1A1KDM4EHPGDCYP1A2CYP2C9
Cyanide SCHEMBL25407948 0.84 KDM4E (0.43) ALDH1A1KDM4EHPGDCYP1A2CYP2C9
Cyanide SCHEMBL25408765 0.84 DRD2 (0.43) ALDH1A1KDM4EHPGDCYP1A2CYP2C9
Cyanide SCHEMBL22130103 0.78 SIGMAR1 (0.40) ALDH1A1KDM4EHPGDCYP1A2CYP2C9
Cyanide SCHEMBL25407204 0.78 MAOB (0.40) ALDH1A1KDM4EHPGDCYP1A2CYP2C9
Cyanide SCHEMBL22130265 0.78 KDM4E (0.36) ALDH1A1KDM4EHPGDCYP1A2CYP2C9
Cyanide SCHEMBL25405296 0.77 KDM4E (0.67) ALDH1A1KDM4EHPGDCYP1A2CYP2C9

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295095-A1 NOVEL FUSED-HETEROCYCLYL-CARBONOHYDRAZONOYL DICYANIDE COMPOUNDS AND USE THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2023-09-21 — — US claimed
EP-4169905-A1 NOVEL FUSED HETEROCYCLIC CARBONOHYDRAZONOYL DICYANIDE COMPOUND AND USE THEREOF Korea Institute of Science and Technology (KR) 2023-04-26 — — EP claimed
US-20220396553-A1 NOVEL HYDRAZONE DERIVATIVE IN WHICH TERMINAL AMINE GROUP IS SUBSTITUTED WITH ARYL GROUP OR HETEROARYL GROUP, AND USE THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2022-12-15 — — US claimed
WO-2021256899-A1 NOVEL FUSED HETEROCYCLIC CARBONOHYDRAZONOYL DICYANIDE COMPOUND AND USE THEREOF 한국과학기술연구원 2021-12-23 — — WO claimed
EP-3901139-A1 NOVEL HYDRAZONE DERIVATIVE WITH ARYL OR HETEROARYL GROUP SUBSTITUTED AT TERMINAL AMINE GROUP THEREOF AND USE THEREOF Korea Institute of Science and Technology (KR) 2021-10-27 — — EP claimed
WO-2020130214-A1 NOVEL HYDRAZONE DERIVATIVE WITH ARYL OR HETEROARYL GROUP SUBSTITUTED AT TERMINAL AMINE GROUP THEREOF AND USE THEREOF 한국과학기술연구원 2020-06-25 — — WO claimed
US-20230295095-A1 NOVEL FUSED-HETEROCYCLYL-CARBONOHYDRAZONOYL DICYANIDE COMPOUNDS AND USE THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2023-09-21 — — US disclosed
EP-4169905-A1 NOVEL FUSED HETEROCYCLIC CARBONOHYDRAZONOYL DICYANIDE COMPOUND AND USE THEREOF Korea Institute of Science and Technology (KR) 2023-04-26 — — EP disclosed
US-20220396553-A1 NOVEL HYDRAZONE DERIVATIVE IN WHICH TERMINAL AMINE GROUP IS SUBSTITUTED WITH ARYL GROUP OR HETEROARYL GROUP, AND USE THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2022-12-15 — — US disclosed
WO-2021256899-A1 NOVEL FUSED HETEROCYCLIC CARBONOHYDRAZONOYL DICYANIDE COMPOUND AND USE THEREOF 한국과학기술연구원 2021-12-23 — — WO disclosed
EP-3901139-A1 NOVEL HYDRAZONE DERIVATIVE WITH ARYL OR HETEROARYL GROUP SUBSTITUTED AT TERMINAL AMINE GROUP THEREOF AND USE THEREOF Korea Institute of Science and Technology (KR) 2021-10-27 — — EP disclosed
WO-2020130214-A1 NOVEL HYDRAZONE DERIVATIVE WITH ARYL OR HETEROARYL GROUP SUBSTITUTED AT TERMINAL AMINE GROUP THEREOF AND USE THEREOF 한국과학기술연구원 2020-06-25 — — 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 (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-20230295095-A1 NOVEL FUSED-HETEROCYCLYL-CARBONOHYDRAZONOYL DICYANIDE COMPOUNDS AND USE THEREOF CBR3, DBF4, DDT ALDH1A1 1343/4885KDM4E 2516/4885HPGD 938/4885
US-20220396553-A1 NOVEL HYDRAZONE DERIVATIVE IN WHICH TERMINAL AMINE GROUP IS SUBSTITUTED WITH ARYL GROUP OR HETEROARYL GROUP, AND USE THEREOF AANAT, NAT1, HNMT ALDH1A1 402/4885KDM4E 1271/4885HPGD 544/4885

“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.

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