SCHEMBL2187967

SCHEMBL2187967

N=C1SCCN1Cc1cnc(Cl)s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 1/20 0.57
CHRNA7 P36544 1/20 0.57
ALDH1A1 P00352 2/20 0.47
LMNA P02545 5/20 0.43
RECQL P46063 1/20 0.43
KMT2A Q03164 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 2/20 0.35
RAB9A P51151 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
INMT O95050 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 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
SCHEMBL234144 0.75 KMT2A (0.62) CHRNA7ALDH1A1LMNARECQLKMT2A
SCHEMBL234143 0.75 KMT2A (0.62) CHRNA7ALDH1A1LMNARECQLKMT2A
SCHEMBL10026155 0.75 KMT2A (0.62) CHRNA7ALDH1A1LMNARECQLKMT2A
Descyanothiacloprid SCHEMBL1556829 0.73 CHRNA7 (1.00) CHRNA1CHRNA7KMT2ASMN1; SMN2TDP1
Hydrochloric Acid SCHEMBL10463854 0.73 ALDH1A1 (0.44) CHRNA1CHRNA7ALDH1A1LMNARECQL
SCHEMBL14492891 0.72 LMNA (0.43) CHRNA1CHRNA7ALDH1A1LMNARECQL
SCHEMBL14931801 0.72 CHRNA7 (0.64) CHRNA1CHRNA7ALDH1A1LMNAKMT2A
SCHEMBL7507814 0.70 CHRNA7 (0.68) CHRNA1CHRNA7ALDH1A1LMNAKMT2A
SCHEMBL14931795 0.70 CHRNA7 (0.61) CHRNA1CHRNA7LMNAKMT2AMAPT
SCHEMBL14270480 0.70 LMNA (0.41) ALDH1A1LMNARECQLKMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1198803-C Heterocyclic compounds having effect of activating nicoting acetylchloine alpha 4 beta 2 receptor FIRST SUNTORY PHARMACEUTICAL L (JP) 2005-04-27 CN claimed
CN-1349506-A Heterocyclic compounds having effect of activating nicoting acetylchloine alpha 4 beta 2 receptor SUNTORY LTD (JP) 2002-05-15 CN claimed
US-20020028809-A1 Heterocyclic compounds having effect of activating a4beta2 nicotinic acetylcholine receptors SUNTORY LIMITED 2002-03-07 US claimed
EP-1176141-A1 HETEROCYCLIC COMPOUNDS HAVING EFFECT OF ACTIVATING NICOTINIC ACETYLCHOLINE $g(a)4$g(b)2 RECEPTOR SUNTORY LIMITED (JP) 2002-01-30 EP claimed
EP-2305658-B9 NOVEL IMINO DERIVATIVE, PROCESS FOR PRODUCTION OF THE SAME, AND PESTICIDE COMPRISING THE SAME MEIJI SEIKA PHARMA CO LTD (JP) 2015-04-29 EP disclosed
EP-2305658-B1 NOVEL IMINO DERIVATIVE, PROCESS FOR PRODUCTION OF THE SAME, AND PESTICIDE COMPRISING THE SAME MEIJI SEIKA PHARMA CO LTD (JP) 2014-12-17 EP disclosed
EP-2591673-A1 PEST CONTROL AGENT Meiji Seika Pharma Co., Ltd. (JP) 2013-05-15 EP disclosed
US-8309733-B2 Imino derivatives, methods for producing the same and insecticides containing the same Meji Seika Pharma Co., Ltd. (JP) 2012-11-13 US disclosed
US-20110172433-A1 NOVEL IMINO DERIVATIVES, METHODS FOR PRODUCING THE SAME AND INSECTICIDES CONTAINING THE SAME MEIJI SEIKA KAISHA, LTD. (JP) 2011-07-14 US disclosed
CN-102076673-A Novel imino derivative, process for production of same, and pesticide comprising same KUREHA CORP 2011-05-25 CN disclosed
US-20020028809-A1 Heterocyclic compounds having effect of activating a4beta2 nicotinic acetylcholine receptors SUNTORY LIMITED 2002-03-07 US disclosed
EP-1176141-A1 HETEROCYCLIC COMPOUNDS HAVING EFFECT OF ACTIVATING NICOTINIC ACETYLCHOLINE $g(a)4$g(b)2 RECEPTOR SUNTORY LIMITED (JP) 2002-01-30 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 (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-20110172433-A1 NOVEL IMINO DERIVATIVES, METHODS FOR PRODUCING THE SAME AND INSECTICIDES CONTAINING THE SAME CNOT9, CBR1, CBR3 CHRNA1 23/4885CHRNA7 125/4885ALDH1A1 1181/4885
US-20020028809-A1 Heterocyclic compounds having effect of activating a4beta2 nicotinic acetylcholine receptors CHRNA2, CHRNA7, CHRNB2 CHRNA1 6/4885CHRNA7 2/4885ALDH1A1 1878/4885

“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.