SCHEMBL6112955

SCHEMBL6112955

CCC(=O)Nc1cccc2nc(N3CCC(c4cc(Cl)cc(Cl)c4)(C(F)(F)F)C3)sc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
THRB P10828 1/20 0.35
PSD A5PKW4 1/20 0.34
MAPT P10636 5/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ITGAL P20701 1/20 0.34
TP53 P04637 3/20 0.33
POLB P06746 2/20 0.33
NAAA Q02083 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
LMNA P02545 1/20 0.32
AURKA O14965 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
GRK2 P25098 1/20 0.32

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
SCHEMBL168799 0.90 ITGAL (0.35) TSHRMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL178196 0.88 MAPT (0.34) MAPTKDM4EITGALPOLBNAAA
SCHEMBL8406378 0.87 RXFP1 (0.35) MAPTITGALTP53NPC1RAB9A
SCHEMBL6113075 0.84 ITGAL (0.38) SMN1; SMN2ITGALNAAANPC1RAB9A
SCHEMBL8406404 0.83 MAPT (0.35) MAPTKDM4EITGALPOLBNAAA
SCHEMBL6113318 0.83 ITGAL (0.39) MAPTSMN1; SMN2KMT2AKDM4EITGAL
SCHEMBL168874 0.83 ITGAL (0.45) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL166858 0.83 ITGAL (0.39) MAPTMEN1KMT2AALDH1A1ITGAL
SCHEMBL6113104 0.82 SCD (0.33) ITGAL
SCHEMBL167960 0.80 ITGAL (0.32) MAPTSMN1; SMN2ITGALNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120129854-A1 Pesticidal Arylpyrrolidines BAYER CROPSCIENCE AG (DE) 2012-05-24 US disclosed
US-20120129854-A1 Pesticidal Arylpyrrolidines BAYER CROPSCIENCE AG (DE) 2012-05-24 US disclosed
US-20120129854-A1 Pesticidal Arylpyrrolidines BAYER CROPSCIENCE AG (DE) 2012-05-24 US disclosed
WO-2010124845-A1 PESTICIDAL ARYLPYRROLIDINES BAYER CROPSCIENCE AG (DE) 2010-11-04 WO 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-20120129854-A1 Pesticidal Arylpyrrolidines DDT, AADAC, AHR TSHR 255/4885THRB 1352/4885PSD 3415/4885

“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.