SCHEMBL888516

SCHEMBL888516

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

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.38
CHRNA4 P43681 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 5/20 0.36
MAPT P10636 3/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CHRNA1 P02708 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
HTT P42858 1/20 0.34
CASP6 P55212 1/20 0.34

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
SCHEMBL888515 1.00 CHRNB2 (0.38) CHRNB2CHRNA4SMN1; SMN2ALDH1A1MAPT
SCHEMBL7660296 0.91 CHRNB2 (0.36) CHRNB2CHRNA4SMN1; SMN2ALDH1A1MAPT
SCHEMBL7660230 0.86 AGTR2 (0.39) CHRNB2CHRNA4SMN1; SMN2ALDH1A1MAPT
SCHEMBL9045171 0.86 AGTR2 (0.39) CHRNB2CHRNA4SMN1; SMN2ALDH1A1MAPT
SCHEMBL10028752 0.84 ALDH1A1 (0.41) CHRNB2CHRNA4SMN1; SMN2ALDH1A1MAPT
SCHEMBL7671788 0.83 CHRNB2 (0.39) CHRNB2CHRNA4SMN1; SMN2ALDH1A1MAPT
SCHEMBL7754488 0.83 CHRNB2 (0.39) CHRNB2CHRNA4SMN1; SMN2ALDH1A1MAPT
SCHEMBL7662760 0.83 SMN1; SMN2 (0.37) CHRNB2CHRNA4SMN1; SMN2ALDH1A1MAPT
SCHEMBL7657443 0.82 CHRNB2 (0.38) CHRNB2CHRNA4SMN1; SMN2ALDH1A1MAPT
Nitenpyram SCHEMBL25788 0.81 SMN1; SMN2 (0.40) CHRNB2CHRNA4SMN1; SMN2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2377845-B1 HETEROCYCLIC NITROGENOUS OR OXYGENOUS COMPOUNDS WITH INSECTICIDAL ACTIVITY FORMED FROM DIALDEHYDES AND THEIR PREPARATION AND USES THEREOF UNIV EAST CHINA SCIENCE & TECH (CN) 2015-01-28 EP disclosed
US-8563546-B2 Heterocyclic nitrogenous or oxygenous compounds with insecticidal activity formed from dialdehydes and their preparation and uses thereof EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2013-10-22 US disclosed
CN-102775386-A Preparation method and application of open-ring nitromethylene derivative UNIV EAST CHINA SCIENCE & TECH 2012-11-14 CN disclosed
US-20110269751-A1 HETEROCYCLIC NITROGENOUS OR OXYGENOUS COMPOUNDS WITH INSECTICIDAL ACTIVITY FORMED FROM DIALDEHYDES AND THEIR PREPARATION AND USES THEREOF SHANGHAI SHENGNONG PESTICIDE CO., LTD. (CN) 2011-11-03 US disclosed
EP-2377845-A1 HETEROCYCLIC NITROGENOUS OR OXYGENOUS COMPOUNDS WITH INSECTICIDAL ACTIVITY FORMED FROM DIALDEHYDES AND THEIR PREPARATION AND USES THEREOF East China University of Science and Technology (CN) 2011-10-19 EP disclosed
US-6407248-B1 INSECTICIDES, MITICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-06-18 US disclosed
US-6124297-A COMBATTING INSECTS OR MITES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-09-26 US disclosed
US-5935981-A INSECTICIDAL/MITICIDAL ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-08-10 US disclosed
US-5849768-A α-unsaturated amines, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-12-15 US disclosed
EP-0529680-B1 Intermediates, their production and their use for preparing alpha-unsaturated amines TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-05-13 EP disclosed
EP-0366085-B1 Tetrahydropyrimidines, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1996-04-17 EP disclosed
EP-0302389-B1 Alpha-unsaturated amines, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1993-12-22 EP disclosed
US-5214152-A Insecticides, miticides TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-05-25 US disclosed
EP-0529680-A2 Intermediates, their production and their use for preparing alpha-unsaturated amines TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-03-03 EP disclosed
US-5175301-A Insecticide, miticide, pesticide TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-12-29 US disclosed
EP-0509559-A2 Alpha-unsaturated amines, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-10-21 EP disclosed
US-5084459-A Insecticides TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-01-28 US disclosed
EP-0302389-A2 Alpha-unsaturated amines, their production and use Takeda Chemical Industries, Ltd. (JP) 1989-02-08 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-20110269751-A1 HETEROCYCLIC NITROGENOUS OR OXYGENOUS COMPOUNDS WITH INSECTICIDAL ACTIVITY FORMED FROM DIALDEHYDES AND THEIR PREPARATION AND USES THEREOF CRY1, CAT, DDT CHRNB2 2588/4885CHRNA4 2427/4885SMN1; SMN2 3168/4885

“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.