SCHEMBL3680260

SCHEMBL3680260

NC(=S)N1CCN(C(=O)Cc2cc(Cl)ccc2Cl)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.45
MAPK1 P28482 1/20 0.44
ERCC1 P07992 1/20 0.43
ERCC4 Q92889 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
MAPT P10636 1/20 0.42
ALOX12 P18054 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KMT2A Q03164 5/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 2/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
GFER P55789 1/20 0.40
ATM Q13315 1/20 0.40
HTT P42858 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL3679288 0.84 CCR3 (0.49) CCR3MAPK1ERCC1ERCC4KMT2A
SCHEMBL3691643 0.83 CNR1 (0.47) MAPTSMN1; SMN2NPSR1KMT2AKDM4E
SCHEMBL29497715 0.82 KMT2A (0.58) CCR3MAPTALOX12SMN1; SMN2NPSR1
SCHEMBL3682120 0.75 CCR3 (0.50) CCR3MAPK1ERCC1ERCC4KMT2A
SCHEMBL27998546 0.75 CCR3 (0.48) CCR3ERCC1ERCC4
SCHEMBL3398995 0.73 SIRT1 (0.47) TDP1MAPTALOX12SMN1; SMN2KMT2A
SCHEMBL29718832 0.73 SIRT1 (0.47) TDP1MAPTALOX12SMN1; SMN2KMT2A
SCHEMBL11008127 0.73 PKM (0.60) TDP1MAPTALOX12SMN1; SMN2KMT2A
SCHEMBL3752386 0.72 MAPT (0.72) MAPTALOX12KMT2AKDM4EALDH1A1
SCHEMBL3679900 0.72 MEN1 (0.47) MAPTKMT2AKDM4EALDH1A1MEN1

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-8449898-B2 Fungicidal mixtures E I DU PONT DE NEMOURS AND COMPANY (US) 2013-05-28 US disclosed
US-20100240619-A1 FUNGICIDAL MIXTURES CORTEVA AGRISCIENCE LLC 2010-09-23 US disclosed
EP-2187748-A2 FUNGICIDAL COMPOUNDS AND MIXTURES E. I. du Pont de Nemours and Company (US) 2010-05-26 EP disclosed
WO-2009055514-A2 FUNGICIDAL MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-04-30 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-20100240619-A1 FUNGICIDAL MIXTURES CYP1B1, CYP1A1, NOX1 CCR3 2288/4885MAPK1 1640/4885ERCC1 3748/4885

“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.