SCHEMBL3686221

SCHEMBL3686221

Cc1ccc(Cl)c(NC(=O)N2CCC(C(N)=S)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
GAA P10253 2/20 0.51
MAPT P10636 4/20 0.50
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MDM2 Q00987 1/20 0.46
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
THRB P10828 2/20 0.45
FAAH O00519 1/20 0.45
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44

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) TSHRMAPTMEN1KMT2AMDM2
SCHEMBL3682227 0.81 MAPT (0.61) TSHRGAAMAPTMEN1KMT2A
SCHEMBL3683749 0.80 MAPT (0.51) TSHRGAAMAPTMEN1KMT2A
SCHEMBL3686330 0.76 ALDH1A1 (0.44) MEN1KMT2ALMNA
SCHEMBL12900919 0.72 KMT2A (0.57) TSHRGAAMEN1KMT2ARAB9A
SCHEMBL3752386 0.72 MAPT (0.72) GAAMAPTMEN1KMT2ALMNA
SCHEMBL3682625 0.72 RAB9A (0.56) GAAMDM2RAB9ANPC1THRB
SCHEMBL5218510 0.71 PDK1 (0.56) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL10592421 0.71 ALDH1A1 (0.50) GAAMAPTMEN1KMT2ALMNA
SCHEMBL8297736 0.70 MAPT (0.74) TSHRGAAMAPTMEN1KMT2A

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 3 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

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 TSHR 2769/4885GAA 726/4885MAPT 3897/4885

“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.