SCHEMBL3048628

SCHEMBL3048628

COC(=O)c1ccc(SC)n(C)c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 5/20 0.44
GABRB3 P28472 5/20 0.44
GABRA3 P34903 5/20 0.44
GABRA1 P14867 4/20 0.44
BRD4 O60885 2/20 0.43
LMNA P02545 3/20 0.41
TSHR P16473 2/20 0.41
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
GAA P10253 2/20 0.40
GLA P06280 1/20 0.40
GABRA2 P47869 4/20 0.39
GABRA5 P31644 2/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
PDK2 Q15119 1/20 0.39

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
SCHEMBL3047967 0.81 MCL1 (0.41) GABRG2GABRB3GABRA3GABRA1LMNA
SCHEMBL5231392 0.77 MYC (0.49) GABRG2GABRB3GABRA3GABRA1BRD4
SCHEMBL31032995 0.76 GABRA1 (0.47) GABRG2GABRB3GABRA3GABRA1BRD4
SCHEMBL3045673 0.72 RAB9A (0.51) GABRG2GABRB3GABRA3GABRA1BRD4
SCHEMBL3055280 0.71 SMN1; SMN2 (0.37) LMNAALDH1A1TDP1L3MBTL1MEN1
SCHEMBL25148606 0.71 GABRA1 (0.59) GABRG2GABRB3GABRA3GABRA1BRD4
SCHEMBL28192083 0.69 KDM4E (0.42) GABRG2GABRB3GABRA3GABRA1BRD4
SCHEMBL4284402 0.69 NR4A2 (0.44) GABRG2GABRB3GABRA3GABRA1BRD4
SCHEMBL30365014 0.68 GABRA1 (0.56) GABRG2GABRB3GABRA3GABRA1BRD4
SCHEMBL2284288 0.67 BRD4 (0.54) GABRG2GABRB3GABRA3GABRA1BRD4

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
EP-1982978-B1 PYRIDONE DERIVATIVE AND HERBICIDE KUMIAI CHEMICAL INDUSTRY CO (JP) 2014-08-27 EP disclosed
US-8076487-B2 Pyridone derivative and herbicide KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2011-12-13 US disclosed
US-20100222592-A1 Pyridone Derivative and Herbicide KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2010-09-02 US disclosed
EP-1982978-A1 PYRIDONE DERIVATIVE AND HERBICIDE KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2008-10-22 EP 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-20100222592-A1 Pyridone Derivative and Herbicide PDXK, PNPO, CBR3 GABRG2 4098/4885GABRB3 4105/4885GABRA3 4041/4885

“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.