SCHEMBL21135678

SCHEMBL21135678

CC(=O)NCc1c(N)c(C)c(S(N)(=O)=O)c(C)c1N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KDM4E B2RXH2 2/20 0.32
CA9 Q16790 2/20 0.31
KMT2A Q03164 1/20 0.31
CA12 O43570 1/20 0.31
HTT P42858 1/20 0.31
PTGS2 P35354 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
NQO2 P16083 1/20 0.30
MTNR1A P48039 1/20 0.30
MTNR1B P49286 1/20 0.30

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
SCHEMBL21135679 0.71 KDM4E (0.38) ALDH1A1CA1CA2CA7KDM4E
SCHEMBL11151052 0.70 GAA (0.36) ALDH1A1CA1CA2CA7CA14
SCHEMBL20000082 0.69 KDM4E (0.46) ALDH1A1CA1CA2CA7CA14
SCHEMBL10878423 0.67 NPSR1 (0.39) ALDH1A1LMNANPSR1KDM4EKMT2A
SCHEMBL20000065 0.66 KDM4E (0.36) ALDH1A1CA1CA2CA7KDM4E
SCHEMBL20000078 0.65 ALDH1A1 (0.34) ALDH1A1CA1CA2CA7KDM4E
SCHEMBL24812540 0.65 KDM4E (0.41) ALDH1A1CA1CA2CA7LMNA
SCHEMBL23279804 0.62 KLKB1 (0.53)
SCHEMBL21135674 0.62 KDM4E (0.40) ALDH1A1CA1CA2CA7KDM4E
SCHEMBL20845857 0.62 CA1 (0.38) ALDH1A1CA1CA2CA7CA14

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 ALDH1A1 3083/4885CA1 4252/4885CA2 4713/4885
US-10717706-B2 M-phenylenediamine compound and method for producing polymer compound using same PNMT, HRH3, PRMT9 ALDH1A1 3143/4885CA1 3970/4885CA2 4623/4885

“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.