SCHEMBL3595478

SCHEMBL3595478

O=[N+]([O-])c1ccc2c(c1)NS(=O)(=O)NC2

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PNMT P11086 8/20 0.45
ADRA2A P08913 6/20 0.45
ADRA2B P18089 3/20 0.43
ADRA2C P18825 3/20 0.43
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
TDP2 O95551 1/20 0.40
ABCC8 Q09428 1/20 0.40
KCNJ11 Q14654 1/20 0.40

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
SCHEMBL8968000 0.76 CA12 (0.47) CA12CA9ABCC8KCNJ11
SCHEMBL5811226 0.74 CA12 (0.50) PNMTADRA2AADRA2BADRA2CCA12
SCHEMBL31487844 0.73 SLC40A1 (0.38) CA12CA9
SCHEMBL654053 0.73 PNMT (0.50) PNMTADRA2AADRA2BADRA2CTDP2
SCHEMBL16652307 0.73 PNMT (0.54) PNMTADRA2AADRA2BADRA2C
SCHEMBL7901973 0.70 PARP1 (0.38)
SCHEMBL14021242 0.70 PNMT (0.46) PNMTADRA2AADRA2BADRA2CTDP2
SCHEMBL31491273 0.70 TDP2 (0.48) PNMTADRA2AADRA2BADRA2CTDP2
SCHEMBL3604126 0.70 TDP2 (0.48) PNMTADRA2AADRA2BADRA2CTDP2
SCHEMBL6636013 0.70 PNMT (0.62) PNMTADRA2AADRA2BADRA2CTDP2

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-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
CN-101589038-A Heterocyclidene-N-(aryl)acetamide derivative MOCHIDA PHARM CO LTD (JP) 2009-11-25 CN 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 PNMT 3280/4885ADRA2A 571/4885ADRA2B 812/4885

“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.