SCHEMBL1747792

SCHEMBL1747792

NC(=C[N+](=O)[O-])Cc1ccc(Cl)nc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.44
CHRNA4 P43681 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 4/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
CHRNA1 P02708 2/20 0.42
CHRNA3 P32297 2/20 0.42
CHRNA7 P36544 2/20 0.42
CASP6 P55212 1/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
EPHX1 P07099 1/20 0.37

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
SCHEMBL1747789 1.00 CHRNB2 (0.44) CHRNB2CHRNA4SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL1747791 1.00 CHRNB2 (0.44) CHRNB2CHRNA4SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL12778050 0.83 ALDH1A1 (0.41) CHRNB2CHRNA4SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL10511108 0.82 OXTR (0.41) CHRNB2CHRNA4SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL9047032 0.80 FPR2 (0.44) CHRNB2CHRNA4SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL9047024 0.80 FPR2 (0.44) CHRNB2CHRNA4SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL9558756 0.79 CHRNB2 (0.42) CHRNB2CHRNA4SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL9558754 0.79 CHRNB2 (0.42) CHRNB2CHRNA4SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL1747709 0.79 CHRNB2 (0.42) CHRNB2CHRNA4SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL1747708 0.79 CHRNB2 (0.42) CHRNB2CHRNA4SMN1; SMN2ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902233-B2 Compounds useful as pesticides DOW AGROSCIENCES LLC (US) 2011-03-08 US disclosed
EP-1572656-B1 COMPOUNDS USEFUL AS PESTICIDES DOW AGROSCIENCES LLC (US) 2010-05-26 EP disclosed
US-20090318466-A1 COMPOUNDS USEFUL AS PESTICIDES DOW AGROSCIENCES LLC (US) 2009-12-24 US disclosed
US-7557132-B2 Compounds useful as pesticides DOW AGROSCIENCES LLC (US) 2009-07-07 US disclosed
US-20060063741-A1 Compounds useful as pesticides BENKO ZOLTAN L 2006-03-23 US disclosed
CN-1027447-C Insecticidal/acaricidal composition containing alpha-unsaturated amine TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-01-18 CN disclosed
CN-1093083-A The method for preparing α-unsaturated amine or its salt TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1994-10-05 CN disclosed
CN-1091737-A The method for preparing amine compound or its salt TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1994-09-07 CN disclosed
CN-1031079-A Alpha-unsaturated amines, process for their production and their use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1989-02-15 CN 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-20060063741-A1 Compounds useful as pesticides DDT, ACHE, BCHE CHRNB2 1113/4885CHRNA4 1322/4885SMN1; SMN2 1795/4885
US-20090318466-A1 COMPOUNDS USEFUL AS PESTICIDES DDT, ACHE, BCHE CHRNB2 1113/4885CHRNA4 1322/4885SMN1; SMN2 1795/4885

“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.