Cyanide

Cyanide

SCHEMBL22130198

C#N.C#N.Cc1cccc2sc(C=NN)nc12

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.51
▸ PKM P14618 1/20 0.40
▸ MAPT P10636 7/20 0.39
▸ GAA P10253 1/20 0.36
▸ MEN1 O00255 6/20 0.35
▸ KMT2A Q03164 6/20 0.35
▸ RAD52 P43351 1/20 0.35
▸ KDM4E B2RXH2 3/20 0.34
▸ ALOX15 P16050 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ POLB P06746 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ USP2 O75604 1/20 0.34
▸ MCL1 Q07820 1/20 0.34
▸ ESR2 Q92731 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ ACP1 P24666 1/20 0.34

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 SCHEMBL22130061 0.82 LMNA (0.51) ALDH1A1PKMMAPTGAAMEN1
Cyanide SCHEMBL22130049 0.82 TDP1 (0.55) ALDH1A1MAPTGAAMEN1KMT2A
Cyanide SCHEMBL22130132 0.79 HSD17B10 (0.51) ALDH1A1PKMMAPTGAAMEN1
SCHEMBL14127134 0.76 ALDH1A1 (0.58) ALDH1A1PKMMAPTGAAMEN1
Cyanide SCHEMBL22130044 0.75 MAPT (0.55) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL22170872 0.74 ALDH1A1 (0.56) ALDH1A1PKMMAPTGAAMEN1
Cyanide SCHEMBL22130210 0.73 SMN1; SMN2 (0.49) ALDH1A1PKMMAPTGAAKMT2A
SCHEMBL6116271 0.71 ALDH1A1 (0.47) ALDH1A1PKMMAPTGAAMEN1
SCHEMBL6116280 0.71 ALDH1A1 (0.47) ALDH1A1PKMMAPTGAAMEN1
Cyanide SCHEMBL22130066 0.71 RAB9A (0.51) ALDH1A1MAPTGAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (1 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-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 402/4885PKM 2433/4885MAPT 3061/4885

“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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