SCHEMBL11953195

SCHEMBL11953195

CC[S+]([O-])c1cnccc1-c1nc2cc(C)ccc2s1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ MAPT P10636 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ DYRK1A Q13627 13/20 0.39
▸ KDM4E B2RXH2 2/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 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
SCHEMBL15426371 0.84 MAPT (0.45) SMN1; SMN2MAPTTP53DYRK1AKDM4E
SCHEMBL11953205 0.83 ALDH1A1 (0.31) SMN1; SMN2DYRK1AALDH1A1
SCHEMBL11953189 0.76 SMN1; SMN2 (0.49) SMN1; SMN2MAPTTP53DYRK1AKDM4E
SCHEMBL11953190 0.76 DYRK1A (0.49) SMN1; SMN2MAPTTP53DYRK1AKDM4E
SCHEMBL11953193 0.76 MAPT (0.47) SMN1; SMN2MAPTTP53DYRK1AKDM4E
SCHEMBL11953194 0.75 DYRK1A (0.46) SMN1; SMN2MAPTTP53DYRK1AKDM4E
SCHEMBL10249069 0.74 SMN1; SMN2 (0.41) SMN1; SMN2MAPTTP53KDM4ENPC1
SCHEMBL4544534 0.74 KDM4E (0.46) SMN1; SMN2MAPTTP53KDM4ENPC1
SCHEMBL11953192 0.74 MAPT (0.50) SMN1; SMN2MAPTTP53DYRK1AKDM4E
SCHEMBL11953191 0.74 DYRK1A (0.50) SMN1; SMN2MAPTTP53DYRK1AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8742112-B2 Heterocyclic compound and its use for control of an arthropod pest SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-06-03 — — US disclosed
US-20120196891-A1 HETEROCYCLIC COMPOUND AND ITS USE FOR CONTROL OF AN ARTHROPOD PEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-02 — — US 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-20120196891-A1 HETEROCYCLIC COMPOUND AND ITS USE FOR CONTROL OF AN ARTHROPOD PEST HAAO, DDT, ACHE SMN1; SMN2 1085/4885MAPT 3493/4885TP53 4044/4885

“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.

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