Cyanide

Cyanide

SCHEMBL22130265

C#N.C#N.CC(C)n1c(=O)n(C(C)C)c2cc(C=NN)ccc21

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.35
▸ HPGD P15428 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ HPD P32754 4/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ MAOB P27338 1/20 0.32
▸ SLC6A2 P23975 2/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.30
▸ SLC22A12 Q96S37 1/20 0.30
▸ BRD4 O60885 1/20 0.30
▸ AR P10275 1/20 0.30

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 SCHEMBL25403775 0.94 HPD (0.33) KDM4ESMN1; SMN2HTTGAAALDH1A1
Cyanide SCHEMBL25405741 0.91 KDM4E (0.44) KDM4ESMN1; SMN2HTTGAAALDH1A1
Cyanide SCHEMBL25406456 0.87 HPD (0.46) KDM4ESMN1; SMN2HTTGAAALDH1A1
Cyanide SCHEMBL22130063 0.86 KDM4E (0.33) KDM4ESMN1; SMN2HTTGAAALDH1A1
Cyanide SCHEMBL25406040 0.85 SLC6A2 (0.33) KDM4ESMN1; SMN2HTTGAAALDH1A1
Cyanide SCHEMBL25405959 0.85 PRKDC (0.35) KDM4ESMN1; SMN2HTTGAAALDH1A1
Cyanide SCHEMBL25407957 0.79 KDM4E (0.43) KDM4ESMN1; SMN2HTTGAAALDH1A1
Cyanide SCHEMBL22130180 0.79 SCN9A (0.33) —
Cyanide SCHEMBL25404143 0.79 CTSC (0.31) KDM4ERXFP1
Cyanide SCHEMBL22130079 0.79 CNR2 (0.41) ALDH1A1HPGD

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 10 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
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
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 KDM4E 2516/4885SMN1; SMN2 3827/4885HTT 3351/4885
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 KDM4E 1271/4885SMN1; SMN2 4864/4885HTT 116/4885

“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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