SCHEMBL3759963

SCHEMBL3759963

COC(C(=O)N1CCC(C(N)=S)CC1)c1cc(C)ccc1C

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 1/20 0.42
ALDH1A1 P00352 6/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
TSHR P16473 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL3750240 0.89 MDM2 (0.41) MDM2ALDH1A1PKMHPGDHSD17B10
SCHEMBL3756840 0.79 ALDH1A1 (0.46) ALDH1A1PKMHPGDHSD17B10KMT2A
SCHEMBL3761212 0.76 LIPE (0.44) ALDH1A1KMT2AMEN1
SCHEMBL1979633 0.71 MDM2 (0.58) MDM2KMT2AMEN1TSHR
SCHEMBL3683326 0.71 ALDH1A1 (0.46) MDM2ALDH1A1KMT2AMEN1TSHR
SCHEMBL4608857 0.71 ALDH1A1 (0.44) MDM2ALDH1A1HPGDHSD17B10KMT2A
SCHEMBL3685438 0.69 MEN1 (0.37) ALDH1A1HPGDHSD17B10KMT2AMEN1
SCHEMBL13170136 0.68 LMNA (0.38) ALDH1A1HPGDKMT2AMEN1TSHR
SCHEMBL3681463 0.66 KMT2A (0.40) KMT2A
SCHEMBL3686221 0.65 TSHR (0.52) MDM2KMT2AMEN1TSHRLMNA

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 MDM2 3870/4885ALDH1A1 440/4885PKM 2640/4885

“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.