SCHEMBL7992477

SCHEMBL7992477

NCCCNCc1ccc(Cl)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
GAA P10253 2/20 0.50
MAPT P10636 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MC4R P32245 1/20 0.47
MC5R P33032 1/20 0.47
MC3R P41968 1/20 0.47
OXTR P30559 1/20 0.47
AVPR1A P37288 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.43
CHRM2 P08172 1/20 0.43
ALDH1A1 P00352 1/20 0.43
PLK1 P53350 1/20 0.43
KDM1A O60341 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
KAT2B Q92831 1/20 0.40
NLRP3 Q96P20 1/20 0.40
CXCR4 P61073 1/20 0.40
HDAC1 Q13547 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
Hydrochloric Acid SCHEMBL7504260 0.98 OXTR (0.49) KDM4EGAAMAPTL3MBTL1MC4R
SCHEMBL10483911 0.95 KDM4E (0.49) KDM4EGAAMAPTL3MBTL1MC4R
SCHEMBL5884859 0.93 KDM4E (0.50) KDM4EGAAMAPTL3MBTL1MC4R
SCHEMBL4854056 0.93 KDM4E (0.53) KDM4EGAAMAPTL3MBTL1MC4R
SCHEMBL501967 0.87 KDM4E (0.50) KDM4EGAAMAPTL3MBTL1OXTR
SCHEMBL1797036 0.86 KDM4E (0.53) KDM4EGAAMAPTL3MBTL1OXTR
SCHEMBL10483903 0.85 SIGMAR1 (0.49) KDM4EGAAMAPTL3MBTL1PLK1
SCHEMBL10483947 0.85 SIGMAR1 (0.41) KDM4EGAAMAPTL3MBTL1
SCHEMBL10483890 0.84 CA12 (0.41) KDM4EGAAMAPTL3MBTL1
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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190150445-A1 SUBSTITUTED HALOGEN(THIO)ACYL COMPOUNDS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-05-23 US disclosed
US-6297374-B1 Nitroimino-nitromethylene—azole or-azine heterocyclic compounds, insecticidal compositions containing them, and insecticidal methods of using them NIHON BAYER AGROCHEM K.K. (JP) 2001-10-02 US disclosed
US-6022967-A 1-NITRO-2-CARBOXYVINYL- OR 1-NITRO-2-(DIMETHYLAMINO)VINYL-SUBSTITUTED IMIDAZOLIDINES OR TETRAHYDROPYRIMIDINES NIHON BAYER AGROCHEM K.K. (JP) 2000-02-08 US disclosed
US-5750704-A INSECTICIDES NIHON BAYER AGROCHEM K.K. (JP) 1998-05-12 US disclosed
US-5580889-A Insecticidal nitromethyl or niteoimino-heteromethyl-heterocyclics NIHON BAYER AGROCHEM K.K. (JP) 1996-12-03 US disclosed
US-5461167-A 2-chloro-5-chloromethyl thiazole; insecticide NIHON BAYER AGROCHEM K.K. (JP) 1995-10-24 US disclosed
US-5428032-A Insecticides NIHON BAYER AGROCHEM K.K. (JP) 1995-06-27 US disclosed
US-5298507-A Insecticides NIHON BAYER AGROCHEM K.K. (JP) 1994-03-29 US disclosed
US-5204360-A Insecticides NIHON BAYER AGROCHEM K.K. (JP) 1993-04-20 US disclosed
US-5001138-A Insecticides NIHON TOKUSHU NOYAKU SEIZO, K.K. (JP) 1991-03-19 US disclosed
US-4845106-A INSECTICIDES NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1989-07-04 US disclosed
EP-0163855-B1 NITROMETHYLENE DERIVATIVES, INTERMEDIATES, AND PROCESS FOR THEIR PREPARATION AS INSECTICIDES NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1989-06-21 EP disclosed
US-4812571-A NITROMETHYLENE COMPOUNDS NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1989-03-14 US disclosed
US-4806553-A Pyridyl alkylenediamine compounds insecticidal NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1989-02-21 US disclosed
US-4774247-A Nitromethylene derivative insecticides NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1988-09-27 US 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
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 (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-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.