SCHEMBL3398708

SCHEMBL3398708

CC(=O)Nc1ccc(NS(=O)(=O)c2cc[c]cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.67
KMT2A Q03164 4/20 0.64
ALDH1A1 P00352 4/20 0.64
MEN1 O00255 3/20 0.64
GAA P10253 3/20 0.64
GFER P55789 2/20 0.64
MAPK1 P28482 1/20 0.64
KDM4E B2RXH2 2/20 0.62
CYP3A4 P08684 1/20 0.62
HPGD P15428 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
PKM P14618 1/20 0.60
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
MMP1 P03956 1/20 0.58
MMP2 P08253 1/20 0.58
MMP9 P14780 1/20 0.58
MMP8 P22894 1/20 0.58
MMP13 P45452 1/20 0.58
LMNA P02545 2/20 0.57

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
SCHEMBL5037216 0.95 KDM1A (0.69) KDM1AKMT2AALDH1A1MEN1GAA
SCHEMBL11700730 0.83 MEN1 (0.82) KDM1AKMT2AALDH1A1MEN1GAA
SCHEMBL9365750 0.82 PKM (0.73) KDM1AKMT2AALDH1A1MEN1GAA
SCHEMBL3402411 0.82 MEN1 (0.91) KDM1AKMT2AALDH1A1MEN1GAA
SCHEMBL5040431 0.81 MEN1 (0.64) KDM1AKMT2AALDH1A1MEN1GAA
SCHEMBL29118884 0.81 PKM (0.73) KDM1AKMT2AALDH1A1MEN1GAA
SCHEMBL97361 0.81 KMT2A (0.68) KDM1AKMT2AALDH1A1MEN1GAA
SCHEMBL5318082 0.81 HPGD (0.74) KDM1AKMT2AALDH1A1MEN1GAA
SCHEMBL482662 0.80 CA12 (0.62) KMT2AALDH1A1MEN1GAAGFER
SCHEMBL29364930 0.79 POLB (0.80) KDM1AKMT2AALDH1A1MEN1GAA

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-20100168084-A1 Therapeutic compounds and related methods of use ELIXIR PHARMACEUTICALS, INC. 2010-07-01 US disclosed
WO-2008073451-A2 BENZOIMIDAZOLE DERIVATIVES AS SIRTUIN (SIR) MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS, INC. (US) 2008-06-19 WO 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-20100168084-A1 Therapeutic compounds and related methods of use EP300, KAT2A, KAT6B KDM1A 746/4885KMT2A 422/4885ALDH1A1 618/4885

“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.