SCHEMBL7104208

SCHEMBL7104208

CN(C)C(=C[N+](=O)[O-])NCc1ccc(Cl)nc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.43
CYP2C9 P11712 2/20 0.41
NAMPT P43490 2/20 0.41
CHRNB2 P17787 2/20 0.40
CHRNA4 P43681 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 4/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CHRNA1 P02708 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA7 P36544 1/20 0.38
FPR2 P25090 1/20 0.37
MEN1 O00255 1/20 0.36

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
SCHEMBL7104203 1.00 FAAH (0.43) FAAHCYP2C9NAMPTCHRNB2CHRNA4
SCHEMBL7684960 0.89 FAAH (0.41) FAAHCYP2C9NAMPTCHRNB2CHRNA4
SCHEMBL2801383 0.89 FAAH (0.43) FAAHCYP2C9NAMPTCHRNB2CHRNA4
SCHEMBL888609 0.89 FAAH (0.43) FAAHCYP2C9NAMPTCHRNB2CHRNA4
SCHEMBL8404110 0.89 FAAH (0.41) FAAHCYP2C9NAMPTCHRNB2CHRNA4
SCHEMBL7671911 0.85 HDAC1 (0.35) NAMPTSMN1; SMN2MAPTL3MBTL1ALDH1A1
SCHEMBL7662040 0.85 FPR2 (0.37) NAMPTFPR2MEN1KMT2A
SCHEMBL7671906 0.85 HDAC1 (0.35) NAMPTSMN1; SMN2MAPTL3MBTL1ALDH1A1
SCHEMBL9586412 0.84 NAMPT (0.38) FAAHCYP2C9NAMPTCHRNB2CHRNA4
SCHEMBL9586414 0.84 NAMPT (0.38) FAAHCYP2C9NAMPTCHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0381130-B1 Production of alpha-unsaturated amines TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-10-04 EP claimed
US-5849768-A α-unsaturated amines, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-12-15 US claimed
EP-0302389-B1 Alpha-unsaturated amines, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1993-12-22 EP claimed
EP-0483647-A1 Hydrazine compounds or their salts, processes for producing them and pesticides containing them ISHIHARA SANGYO KAISHA, LTD. (JP) 1992-05-06 EP claimed
EP-0381130-A2 Production of alpha-unsaturated amines Takeda Chemical Industries, Ltd. (JP) 1990-08-08 EP claimed
JP-3041008-A None JP disclosed
US-20030087958-A1 Hydrazine oxoacetamide derivative and insecticide AGRO-KANESHO CO., LTD. (JP) 2003-05-08 US disclosed
US-6407248-B1 INSECTICIDES, MITICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-06-18 US disclosed
US-6399542-B1 INSECTICIDES; PESTICIDES AGRO-KANESHO CO., LTD. (JP) 2002-06-04 US disclosed
US-6399659-B2 EFFECTIVE AT LOW CONCENTRATIONS AGRO-KANESHO CO., LTD. (JP) 2002-06-04 US disclosed
US-20010044464-A1 Hydrazine oxoacetamide derivative and insecticide AGRO-KANESHO CO., LTD. (JP) 2001-11-22 US disclosed
EP-0381130-B1 Production of alpha-unsaturated amines TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-10-04 EP disclosed
EP-0496106-A1 Stable agrochemical compositions Takeda Chemical Industries, Ltd. (JP) 1992-07-29 EP disclosed
EP-0483647-A1 Hydrazine compounds or their salts, processes for producing them and pesticides containing them ISHIHARA SANGYO KAISHA, LTD. (JP) 1992-05-06 EP disclosed
US-5084459-A Insecticides TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-01-28 US disclosed
JP-H0341008-A INSECT-KILLING COMPOSITION FOR AGRICULTURE AND HORTICULTURE TAKEDA CHEM IND LTD 1991-02-21 JP disclosed
CN-1045333-A Insecticide NIHON TOKUSHU NOYAKU SEIZO KK (JP) 1990-09-19 CN disclosed
EP-0366085-A2 Tetrahydropyrimidines, their production and use Takeda Chemical Industries, Ltd. (JP) 1990-05-02 EP disclosed
EP-0302389-A2 Alpha-unsaturated amines, their production and use Takeda Chemical Industries, Ltd. (JP) 1989-02-08 EP disclosed
JP-H00341008-A 0001-01-01 JP 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-20030087958-A1 Hydrazine oxoacetamide derivative and insecticide DDT, CYP2E1, HCN1 FAAH 2911/4885CYP2C9 115/4885NAMPT 4254/4885
US-20010044464-A1 Hydrazine oxoacetamide derivative and insecticide DDT, CYP2E1, HCN1 FAAH 2911/4885CYP2C9 115/4885NAMPT 4254/4885

“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.