SCHEMBL4854056

SCHEMBL4854056

NCCNCc1ccc(Cl)nc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.53
GAA P10253 2/20 0.53
MAPT P10636 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
OXTR P30559 1/20 0.49
AVPR1A P37288 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 2/20 0.45
PLK1 P53350 1/20 0.45
MC4R P32245 1/20 0.45
MC5R P33032 1/20 0.45
KDM1A O60341 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
CHRM2 P08172 1/20 0.42
NLRP3 Q96P20 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL5884859 0.97 KDM4E (0.50) KDM4EGAAMAPTL3MBTL1OXTR
SCHEMBL7992477 0.93 KDM4E (0.50) KDM4EGAAMAPTL3MBTL1OXTR
SCHEMBL10483911 0.92 KDM4E (0.49) KDM4EGAAMAPTL3MBTL1OXTR
Hydrochloric Acid SCHEMBL7504260 0.92 OXTR (0.49) KDM4EGAAMAPTL3MBTL1OXTR
SCHEMBL501967 0.86 KDM4E (0.50) KDM4EGAAMAPTL3MBTL1OXTR
SCHEMBL1797036 0.86 KDM4E (0.53) KDM4EGAAMAPTL3MBTL1OXTR
SCHEMBL9279836 0.85 GAA (0.63) KDM4EGAAMAPTL3MBTL1OXTR
SCHEMBL10483901 0.84 SIGMAR1 (0.56) KDM4EGAAMAPTL3MBTL1SMN1; SMN2
SCHEMBL1798367 0.83 KDM4E (0.50) KDM4EGAAMAPTL3MBTL1OXTR
SCHEMBL6444346 0.83 KDM4E (0.60) KDM4EGAAMAPTL3MBTL1OXTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0474057-B1 Process for the preparation of N-(2-chloro-pyridine-5-yl-methyl)-ethylendiamin BAYER AG (DE) 1995-11-08 EP claimed
EP-0542086-B1 Process for the preparation of the N-[(2-chloropyridin-5-yl)methyl]-ethylenediamine BAYER AG (DE) 1994-11-02 EP claimed
US-5352794-A Process for the preparation of N-(2-chloro-pyridin-5-yl-methyl)ethylenediamine BAYER AKTIENGESELLSCHAFT (DE) 1994-10-04 US claimed
EP-0542086-A1 Process for the preparation of the N-[(2-chloropyridin-5-yl)methyl]-ethylenediamine BAYER AG (DE) 1993-05-19 EP claimed
US-5164508-A PROCESS FOR THE PREPARATION OF N-(2-CHLORO-PYRIDIN-5-YL-METHYL)-ETHYLENEDIAMINE BAYER AKTIENGESELLSCHAFT (DE) 1992-11-17 US claimed
EP-0474057-A1 Process for the preparation of N-(2-chloro-pyridine-5-yl-methyl)-ethylendiamin BAYER AG (DE) 1992-03-11 EP claimed
US-4767864-A Process for the preparation of nitromethylene derivatives BAYER AKTIENGESELLSCHAFT (DE) 1988-08-30 US claimed
JP-4217957-A None JP disclosed
JP-7242633-A None JP disclosed
US-20190150445-A1 SUBSTITUTED HALOGEN(THIO)ACYL COMPOUNDS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-05-23 US disclosed
EP-2984930-B1 PEST CONTROL AGENT MEIJI SEIKA PHARMA CO LTD (JP) 2018-10-03 EP disclosed
US-10085449-B2 N-[1-((6-chloropyridin-3-yl)methyl)pyridin-2(1H)-ylidene]-2,2,2- trifluoroacetamide for control of agricultural/horticultural pests MEIJI SEIKA PHARMA CO., LTD. (JP) 2018-10-02 US disclosed
US-20180042233-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE HAVING 2-IMINO GROUP AND PEST CONTROL AGENT INCLUDING THE SAME MEIJI SEIKA PHARMA CO., LTD. (JP) 2018-02-15 US disclosed
EP-0268915-A2 Trifluoromethylcarbonyl derivatives BAYER AG (DE) 1988-06-01 EP disclosed
US-4742060-A 2-(NITROIMINO)- OR 2-(NITROMETHYLENE)-IMIDAZOLIDINES AS INSECTICIDES NIHON TOKUSHU NOYAKU SEIZO K. K. (JP) 1988-05-03 US disclosed
EP-0254859-A2 Alkylene diamines NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1988-02-03 EP disclosed
EP-0235725-A2 Heterocyclic compounds NIHON BAYER AGROCHEM K.K. (JP) 1987-09-09 EP disclosed
US-4678795-A 1-pyridylmethyl-2-nitromethylene-1,3-diazacycloalkane insecticides NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1987-07-07 US disclosed
EP-0192060-A1 Heterocyclic compounds NIHON BAYER AGROCHEM K.K. (JP) 1986-08-27 EP disclosed
EP-0163855-A1 Nitromethylene derivatives, intermediates, and process for their preparation as insecticides NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1985-12-11 EP 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 (3 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-20180042233-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE HAVING 2-IMINO GROUP AND PEST CONTROL AGENT INCLUDING THE SAME CBR1, CBR3, NIT2 KDM4E 1283/4885GAA 4671/4885MAPT 4773/4885
US-10085449-B2 N-[1-((6-chloropyridin-3-yl)methyl)pyridin-2(1H)-ylidene]-2,2,2- trifluoroacetamide for control of agricultural/horticultural pests NR2E1, CROCC, PRMT1 KDM4E 95/4885GAA 4426/4885MAPT 3396/4885
US-20190150445-A1 SUBSTITUTED HALOGEN(THIO)ACYL COMPOUNDS ACOT7, AGPAT5, TST KDM4E 2332/4885GAA 2591/4885MAPT 4359/4885

“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.