SCHEMBL6634074

SCHEMBL6634074

CNc1ncc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.57
AHR P35869 1/20 0.55
TDP1 Q9NUW8 2/20 0.54
LMNA P02545 2/20 0.51
GALR2 O43603 1/20 0.51
POLB P06746 1/20 0.51
HTT P42858 2/20 0.46
MAPK1 P28482 1/20 0.46
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
RECQL P46063 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GPR35 Q9HC97 1/20 0.40
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
MITF O75030 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL30807120 1.00 ALDH1A1 (0.57) ALDH1A1AHRTDP1LMNAGALR2
SCHEMBL2267794 0.82 POLB (0.51) ALDH1A1AHRTDP1LMNAGALR2
SCHEMBL7416178 0.82 AHR (0.55) ALDH1A1AHRTDP1LMNAHTT
SCHEMBL6984685 0.82 ALDH1A1 (0.57) ALDH1A1AHRTDP1LMNAGALR2
SCHEMBL25406370 0.81 ALDH1A1 (0.68) ALDH1A1AHRTDP1LMNAPOLB
SCHEMBL16125260 0.81 ALDH1A1 (0.53) ALDH1A1AHRTDP1LMNAHTT
SCHEMBL14909529 0.81 ALDH1A1 (0.43) ALDH1A1AHRTDP1LMNAGALR2
SCHEMBL3597604 0.81 AHR (0.47) ALDH1A1AHRTDP1LMNAGALR2
SCHEMBL1052916 0.81 CYP3A4 (0.43) ALDH1A1AHRTDP1LMNAGALR2
SCHEMBL6832051 0.81 POLB (0.50) ALDH1A1AHRLMNAGALR2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12590066-B2 Fused-heterocyclyl-carbonohydrazonoyl dicyanide compounds and use thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2026-03-31 US disclosed
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
CN-115867277-A Novel fused heterocyclyl-carbohydrazone acyldinitrile compounds and use thereof 韩国科学技术研究院 2023-03-28 CN disclosed
WO-2021256899-A1 NOVEL FUSED HETEROCYCLIC CARBONOHYDRAZONOYL DICYANIDE COMPOUND AND USE THEREOF 한국과학기술연구원 2021-12-23 WO disclosed
WO-2014151729-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES IRM LLC (BM) 2014-09-25 WO disclosed
EP-1930319-B1 Proline derivatives and use thereof as drugs MITSUBISHI TANABE PHARMA CORP (JP) 2012-05-02 EP disclosed
EP-1308439-B1 PROLINE DERIVATIVES AND USE THEREOF AS DRUGS MITSUBISHI TANABE PHARMA CORP (JP) 2008-10-15 EP disclosed
EP-1950199-A1 Proline derivatives and use thereof as drugs Mitsubishi Tanabe Pharma Corporation (JP) 2008-07-30 EP disclosed
EP-1100795-B1 DISUBSTITUTED BICYCLIC HETEROCYCLES HAVING, IN PARTICULAR, A THROMBIN INHIBITIVE EFFECT BOEHRINGER INGELHEIM PHARMA (DE) 2004-06-09 EP disclosed
US-6121308-A INDOLE AND BENZIMIDAZOLE ANTITHROMBOTIC COMPOUNDS, SUCH AS 1-METHYL-2-(N-(4-AMIDINOPHENYL)-AMINOMETHYL)-5-(N-(HYDROXYCARBONYLMETHYL) -QUINOLINE-8-SULPHONYLAMINO)-INDOLE BOEHRINGER INGELHEIM KG (DE) 2000-09-19 US disclosed
US-4022793-A Triamino pyridine compounds HORIZONS RESEARCH INCORPORATED (US) 1977-05-10 US disclosed
US-4000146-A STARTING MATERIAL FOR HEAT STABLE ORGANONITROGEN POLYMERS HORIZONS INCORPORATED, A DIVISION OF HORIZONS RESEARCH INCORPORATED (US) 1976-12-28 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-12590066-B2 Fused-heterocyclyl-carbonohydrazonoyl dicyanide compounds and use thereof H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CBR1, CLIC1 ALDH1A1 592/4885AHR 343/4885TDP1 2103/4885
US-20230295095-A1 NOVEL FUSED-HETEROCYCLYL-CARBONOHYDRAZONOYL DICYANIDE COMPOUNDS AND USE THEREOF CBR3, DBF4, DDT ALDH1A1 1343/4885AHR 611/4885TDP1 2868/4885

“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.