SCHEMBL6317403

SCHEMBL6317403

CC(N)CNCc1ccc(Cl)nc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
GAA P10253 2/20 0.49
MAPT P10636 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
OXTR P30559 1/20 0.46
AVPR1A P37288 1/20 0.46
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM1A O60341 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
PLK1 P53350 1/20 0.40

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
SCHEMBL27977498 0.87 KDM4E (0.51) KDM4EGAAMAPTL3MBTL1OXTR
SCHEMBL7992401 0.84 KDM4E (0.46) KDM4EGAAMAPTL3MBTL1OXTR
SCHEMBL7999050 0.84 KDM4E (0.49) KDM4EGAAMAPTL3MBTL1OXTR
SCHEMBL15926086 0.84 KDM4E (0.49) KDM4EGAAMAPTL3MBTL1OXTR
SCHEMBL9279836 0.80 GAA (0.63) KDM4EGAAMAPTL3MBTL1OXTR
SCHEMBL229169 0.80 GAA (0.51) KDM4EGAAMAPTL3MBTL1OXTR
SCHEMBL9316397 0.80 GAA (0.51) KDM4EGAAMAPTL3MBTL1OXTR
SCHEMBL6664519 0.80 KDM4E (0.51) KDM4EGAAMAPTL3MBTL1OXTR
SCHEMBL16585876 0.79 KDM4E (0.47) KDM4EGAAMAPTL3MBTL1OXTR
SCHEMBL502303 0.79 GAA (0.50) 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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1289507-C Novel insecticidal pyrrole compounds BAYER AG (DE) 2006-12-13 CN disclosed
US-6887905-B2 Treatment of depression or generalized anxiety disorder PFIZER INC (US) 2005-05-03 US disclosed
US-6838462-B2 Insecticidal azoles BAYER CROPSCIENCE LP (DE) 2005-01-04 US disclosed
EP-1383773-B1 NOVEL INSECTICIDAL AZOLES BAYER CROPSCIENCE AG (DE) 2004-12-29 EP disclosed
US-20040209896-A1 Novel insecticidal azoles BAYER CROPSCIENCE AG (DE) 2004-10-21 US disclosed
CN-1514840-A Novel insecticidal pyrrole compounds �ݶ�ũ�����ѧ�ɷݹ�˾ 2004-07-21 CN 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
EP-0609811-B1 Process for preparing 2-chloro-5-aminomethyl-pyridines KOEI CHEMICAL CO (JP) 1998-04-15 EP disclosed
US-5424437-A Process for preparing a 2-chloro-5-aminomethyl-pyridine KOEI CHEMICAL CO., LTD. (JP) 1995-06-13 US disclosed
EP-0609811-A1 Process for preparing 2-chloro-5-aminomethyl-pyridine KOEI CHEMICAL CO., Ltd. (JP) 1994-08-10 EP disclosed
US-5304564-A Insecticidal guanidine derivatives NIHON BAYER AGROCHEM K.K. (JP) 1994-04-19 US disclosed
US-5298507-A Insecticides NIHON BAYER AGROCHEM K.K. (JP) 1994-03-29 US disclosed
EP-0547451-A1 Guanidine derivatives as inseticides NIHON BAYER AGROCHEM K.K. (JP) 1993-06-23 EP 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
US-4742060-A 2-(NITROIMINO)- OR 2-(NITROMETHYLENE)-IMIDAZOLIDINES AS INSECTICIDES NIHON TOKUSHU NOYAKU SEIZO K. K. (JP) 1988-05-03 US disclosed
EP-0192060-A1 Heterocyclic compounds NIHON BAYER AGROCHEM K.K. (JP) 1986-08-27 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-20040209896-A1 Novel insecticidal azoles CYP51A1, CRY1, CYP4X1 KDM4E 1556/4885GAA 2831/4885MAPT 4351/4885

“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.