SCHEMBL1662417

SCHEMBL1662417

CN(C)c1cccc2c(S(=O)(=O)N3CCN(c4ccc([N+](=O)O)cc4C(=O)NO)CC3)cccc12

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.50
ATM Q13315 1/20 0.50
TGM2 P21980 5/20 0.46
HTR6 P50406 3/20 0.41
EPHX1 P07099 1/20 0.40
EPHX2 P34913 1/20 0.40
DCTPP1 Q9H773 1/20 0.39
HTR7 P34969 1/20 0.38
HDAC1 Q13547 1/20 0.38
SPR P35270 1/20 0.38
HTR1A P08908 1/20 0.38
HSD11B1 P28845 1/20 0.37
MMP2 P08253 1/20 0.37
MMP13 P45452 1/20 0.37

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
SCHEMBL15462033 0.94 KMT2A (0.51) KMT2AATMTGM2HTR6EPHX1
SCHEMBL1618982 0.92 KMT2A (0.49) KMT2AATMTGM2
SCHEMBL15462046 0.81 MAPT (0.48) KMT2ATGM2EPHX2HDAC1HSD11B1
SCHEMBL15462017 0.80 MAPT (0.51) KMT2AATMTGM2
SCHEMBL1619009 0.78 WDR5 (0.52) KMT2A
SCHEMBL1619036 0.77 KMT2A (0.59) KMT2AATMTGM2HTR6EPHX1
SCHEMBL15462044 0.76 CHRM4 (0.45) KMT2AHDAC1MMP2MMP13
SCHEMBL1662259 0.74 ALDH1A1 (0.52) KMT2AHDAC1MMP2MMP13
SCHEMBL25531 0.74 KMT2A (0.88) KMT2AATMTGM2HTR6EPHX1
SCHEMBL29437927 0.74 KMT2A (0.88) KMT2AATMTGM2HTR6EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120088754-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE EMELEN KRISTOF VAN (BE) 2012-04-12 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 (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-20120088754-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC3, HDAC1, HDAC11 KMT2A 28/4885ATM 2606/4885TGM2 1368/4885

“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.