SCHEMBL3594526

SCHEMBL3594526

Nc1cccc2c1NC(=O)CS2(=O)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 1/20 0.54
ALDH1A1 P00352 1/20 0.33
CA2 P00918 8/20 0.33
CA12 O43570 7/20 0.33
CA1 P00915 7/20 0.33
CA4 P22748 7/20 0.33
CA7 P43166 7/20 0.33
CA9 Q16790 7/20 0.33
AHR P35869 1/20 0.32
CD44 P16070 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
CASP1 P29466 1/20 0.31
RECQL P46063 1/20 0.31
CASP7 P55210 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
DDB1 Q16531 1/20 0.31

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
SCHEMBL3594525 0.79 PLCG1 (0.54) PLCG1CA2CA12CA1CA4
SCHEMBL3584067 0.72 PLCG1 (0.54) PLCG1ALDH1A1CA2CA12CA1
SCHEMBL88748 0.71 PLCG1 (1.00) PLCG1CA2CA12CA1CA4
SCHEMBL1654363 0.67 AHR (0.61) AHRCD44CASP7CRBNPARP1
SCHEMBL3600873 0.67 PLCG1 (0.61) PLCG1CA2CA12CA1CA4
SCHEMBL3598842 0.67 PLCG1 (0.61) PLCG1CA2CA12CA1CA4
SCHEMBL3593739 0.66 NPC1 (0.50) ALDH1A1CA9AHRCD44KDM4E
SCHEMBL31470080 0.66 CXCR2 (0.44) ALDH1A1CA2CA12CA1CA4
SCHEMBL3606129 0.64 CYP11B1 (0.36) ALDH1A1AHRMAPTRECQLL3MBTL1
SCHEMBL10422612 0.63 PLCG1 (0.47) PLCG1ALDH1A1CA2CA9KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 US disclosed
EP-2128157-A1 HETEROCYCLIDENE-N-(ARYL)ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2009-12-02 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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE CCNY, CCND3, NSD3 PLCG1 4081/4885ALDH1A1 1904/4885CA2 887/4885

“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.