SCHEMBL2153199

SCHEMBL2153199

CC(C)C(=O)NC(c1ccc(C(C)C)cc1)c1cc([N+](=O)[O-])c2cccnc2c1O

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 13/20 0.87
MAPT P10636 12/20 0.87
MEN1 O00255 12/20 0.87
KMT2A Q03164 12/20 0.87
HTT P42858 11/20 0.87
SMN1; SMN2 Q16637 10/20 0.87
L3MBTL1 Q9Y468 9/20 0.87
TDP1 Q9NUW8 9/20 0.87
LMNA P02545 8/20 0.87
CCR6 P51684 2/20 0.87
RECQL P46063 1/20 0.87
ALOX12 P18054 7/20 0.86
POLB P06746 2/20 0.86
BLM P54132 1/20 0.73
NPC1 O15118 4/20 0.72
RAB9A P51151 4/20 0.72
ALDH1A1 P00352 4/20 0.71
PKM P14618 2/20 0.71
ADAMTS5 Q9UNA0 2/20 0.62
GAA P10253 2/20 0.60

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
SCHEMBL2153325 0.94 MEN1 (0.84) KDM4EMAPTMEN1KMT2AHTT
SCHEMBL2153850 0.93 MAPT (1.00) KDM4EMAPTMEN1KMT2AHTT
SCHEMBL13836337 0.90 KDM4E (0.81) KDM4EMAPTMEN1KMT2AHTT
SCHEMBL2153921 0.87 KDM4E (0.77) KDM4EMAPTMEN1KMT2AHTT
SCHEMBL13836483 0.87 HTT (0.75) KDM4EMAPTMEN1KMT2AHTT
SCHEMBL2153382 0.86 NPC1 (0.70) KDM4EMAPTMEN1KMT2AHTT
SCHEMBL13836252 0.86 KMT2A (0.74) KDM4EMAPTMEN1KMT2AHTT
SCHEMBL1542189 0.85 KMT2A (0.83) KDM4EMAPTMEN1KMT2AHTT
SCHEMBL1541934 0.84 ALOX12 (1.00) KDM4EMAPTMEN1KMT2AHTT
SCHEMBL608716 0.84 KMT2A (1.00) KDM4EMAPTMEN1KMT2AHTT

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-20120295890-A1 GLYCOSAMINOGLYCAN INHIBITORS Zacharon Pharmaceutical, Inc. (US) 2012-11-22 US disclosed
WO-2011082175-A2 GLYCOSAMINOGLYCAN INHIBITORS ZACHARON PHARMACEUTICALS, INC. (US) 2011-07-07 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-20120295890-A1 GLYCOSAMINOGLYCAN INHIBITORS CSGALNACT1, FUT5, ST3GAL3 KDM4E 4113/4885MAPT 4328/4885MEN1 4634/4885

“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.