SCHEMBL5455335

SCHEMBL5455335

NS(=O)(=O)NCCCCC(NC(=O)O)C(=O)NCCc1c[nH]c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NMBR P28336 6/20 0.52
KMT2A Q03164 7/20 0.52
MEN1 O00255 5/20 0.52
TSHR P16473 2/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
CYP3A4 P08684 1/20 0.52
MAPT P10636 1/20 0.52
ALOX15 P16050 1/20 0.52
MAPK1 P28482 1/20 0.52
HSD17B10 Q99714 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
CTSC P53634 1/20 0.52
TACR3 P29371 1/20 0.52
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
TACR1 P25103 1/20 0.50
CDK4 P11802 1/20 0.49
CCND1 P24385 1/20 0.49
LMNA P02545 1/20 0.49

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
SCHEMBL8115065 0.88 NMBR (0.72) NMBRMAPTTACR1LMNA
SCHEMBL5459435 0.87 SIRT1 (0.61) NMBRKMT2AMEN1MAPTNPC1
SCHEMBL5459439 0.87 SIRT1 (0.61) NMBRKMT2AMEN1MAPTNPC1
SCHEMBL5470684 0.84 KMT2A (0.53) NMBRKMT2AMEN1TSHRKDM4E
SCHEMBL5470683 0.84 KMT2A (0.53) NMBRKMT2AMEN1TSHRKDM4E
SCHEMBL743327 0.76 CYP19A1 (0.72) KMT2AMEN1TSHRKDM4EALDH1A1
SCHEMBL31186837 0.75 KMT2A (0.57) NMBRKMT2AMEN1TSHRKDM4E
SCHEMBL27601173 0.75 KMT2A (0.63) NMBRKMT2AMEN1TSHRKDM4E
SCHEMBL27601171 0.75 KMT2A (0.63) NMBRKMT2AMEN1TSHRKDM4E
SCHEMBL5451717 0.74 HDAC6 (0.62)

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-20070293530-A1 SULFAMIDE AND SULFAMATE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS METHYLGENE INC. (CA) 2007-12-20 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-20070293530-A1 SULFAMIDE AND SULFAMATE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HAT1 NMBR 1806/4885KMT2A 37/4885MEN1 3832/4885

“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.