SCHEMBL3682227

SCHEMBL3682227

Cc1ccc(Cl)cc1NC(=O)N1CCC(C(N)=S)CC1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.61
THRB P10828 1/20 0.54
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
DUSP3 P51452 1/20 0.48
PTPN5 P54829 1/20 0.48
PTPN11 Q06124 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GAA P10253 1/20 0.48
TSHR P16473 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MDM2 Q00987 1/20 0.46

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
SCHEMBL1979633 0.88 MDM2 (0.58) MAPTTHRBKMT2AMEN1TSHR
SCHEMBL3686221 0.81 TSHR (0.52) MAPTTHRBKMT2AMEN1GAA
SCHEMBL3695189 0.80 MAPT (0.62) MAPTTHRBKMT2AMEN1DUSP3
SCHEMBL17651447 0.77 RAB9A (0.63) MAPTTHRBKMT2A
SCHEMBL3681472 0.76 CCR3 (0.50) MAPTKMT2AMEN1
SCHEMBL27998925 0.74 TSHR (0.38) MAPTKMT2AMEN1SMN1; SMN2GAA
SCHEMBL3752386 0.72 MAPT (0.72) MAPTKMT2AMEN1GAAKDM4E
SCHEMBL3682625 0.72 RAB9A (0.56) THRBGAAKDM4EMDM2
SCHEMBL2243625 0.71 GAA (0.70) MAPTSMN1; SMN2GAATSHRKDM4E
SCHEMBL1437258 0.71 MAPT (0.63) MAPTKMT2AMEN1SMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100240619-A1 FUNGICIDAL MIXTURES CORTEVA AGRISCIENCE LLC 2010-09-23 US claimed
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 MAPT 3897/4885THRB 4319/4885KMT2A 2074/4885

“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.