SCHEMBL21135673

SCHEMBL21135673

CCc1c(N)c(CC)c(S(N)(=O)=O)c(CC)c1N

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.35
CA1 P00915 3/20 0.33
CA12 O43570 2/20 0.33
CA7 P43166 2/20 0.33
CA13 Q8N1Q1 2/20 0.33
CA9 Q16790 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL20000065 0.87 KDM4E (0.36) CA2CA1CA12CA7CA13
SCHEMBL20000078 0.86 ALDH1A1 (0.34) CA2CA1CA12CA7CA13
SCHEMBL29106965 0.76 CA2 (0.35) CA2CA1CA12CA7CA13
SCHEMBL14324822 0.73 CA1 (0.52) CA2CA1CA12CA7CA13
SCHEMBL20000070 0.71 CA1 (0.33) CA2CA1CA12CA7CA13
SCHEMBL8540729 0.71 CA1 (0.31) CA2CA1CA12CA9
SCHEMBL20000061 0.70
SCHEMBL20000089 0.70 ALDH1A1 (0.32) ALDH1A1
SCHEMBL23457924 0.70 NOS3 (0.32)
SCHEMBL12797847 0.69 NOS3 (0.35)

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-10717706-B2 M-phenylenediamine compound and method for producing polymer compound using same FUJIFILM CORPORATION (JP) 2020-07-21 US disclosed
US-20190177270-A1 NOVEL M-PHENYLENEDIAMINE COMPOUND AND METHOD FOR PRODUCING POLYMER COMPOUND USING SAME FUJIFILM CORPORATION (JP) 2019-06-13 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 (2 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-20190177270-A1 NOVEL M-PHENYLENEDIAMINE COMPOUND AND METHOD FOR PRODUCING POLYMER COMPOUND USING SAME PNMT, PRMT9, HRH3 CA2 4713/4885CA1 4252/4885CA12 3875/4885
US-10717706-B2 M-phenylenediamine compound and method for producing polymer compound using same PNMT, HRH3, PRMT9 CA2 4623/4885CA1 3970/4885CA12 3646/4885

“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.