SCHEMBL21135675

SCHEMBL21135675

Cc1c(N)c(C(C)C)c(N)c(C)c1S(N)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
APEX1 P27695 1/20 0.31
CYP2C19 P33261 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA13 Q8N1Q1 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
SCHEMBL20000082 0.79 KDM4E (0.46) KDM4EALDH1A1APEX1CYP2C19CA12
SCHEMBL24812540 0.74 KDM4E (0.41) KDM4EALDH1A1APEX1CYP2C19CA12
SCHEMBL21135674 0.71 KDM4E (0.40) KDM4EALDH1A1APEX1CYP2C19CA12
SCHEMBL1694754 0.70 CA1 (0.43) KDM4EALDH1A1CA12CA1CA2
SCHEMBL27019944 0.69 CA1 (0.46) CA12CA1CA2CA7CA13
SCHEMBL21135679 0.68 KDM4E (0.38) KDM4EALDH1A1APEX1CYP2C19CA12
SCHEMBL25162200 0.68
SCHEMBL14041257 0.67 FABP3 (0.41)
SCHEMBL6586893 0.65 ALDH1A1 (0.48) KDM4EALDH1A1APEX1CYP2C19CA12
SCHEMBL6363924 0.64

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 KDM4E 2711/4885ALDH1A1 3083/4885APEX1 2718/4885
US-10717706-B2 M-phenylenediamine compound and method for producing polymer compound using same PNMT, HRH3, PRMT9 KDM4E 2487/4885ALDH1A1 3143/4885APEX1 2616/4885

“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.