SCHEMBL3023722

SCHEMBL3023722

CC(=O)Nc1ccc2[nH]c(C(=O)O)nc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.54
KMT2A Q03164 5/20 0.54
MEN1 O00255 4/20 0.54
MAPT P10636 3/20 0.54
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
GLA P06280 1/20 0.54
TNNI3 P19429 1/20 0.54
TNNT2 P45379 1/20 0.54
TNNC1 P63316 1/20 0.54
RUNX1 Q01196 1/20 0.54
CBFB Q13951 1/20 0.54
PABPC1 P11940 1/20 0.51
ROCK2 O75116 1/20 0.51
ROCK1 Q13464 1/20 0.51
PIN1 Q13526 1/20 0.50
MTNR1A P48039 2/20 0.48
MTNR1B P49286 2/20 0.48
ALDH1A1 P00352 6/20 0.47
POLB P06746 4/20 0.47

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
SCHEMBL13217187 0.88 PIN1 (0.61) KDM4EKMT2AMEN1MAPTNPC1
SCHEMBL20358108 0.82 PIN1 (0.49) KDM4EKMT2AMEN1MAPTNPC1
SCHEMBL17137750 0.82 NPC1 (0.59) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL23535793 0.81 PIN1 (0.44) PIN1PSMB8
SCHEMBL3035366 0.81 KDM4E (0.47) KDM4EKMT2AMEN1MAPTNPC1
SCHEMBL6964928 0.81 PIN1 (0.43) KDM4EKMT2AMEN1MAPTNPC1
SCHEMBL6976260 0.81 PIN1 (0.43) KDM4EKMT2AMEN1MAPTNPC1
Hydrochloric Acid SCHEMBL20291499 0.81 PIN1 (0.48) KDM4EKMT2AMEN1MAPTNPC1
SCHEMBL7901195 0.81 KDM4E (0.55) KDM4EKMT2AMEN1MAPTNPC1
SCHEMBL6608676 0.81 KDM4E (0.55) KDM4EKMT2AMEN1MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304419-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2012-11-06 US disclosed
US-20100216746-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-08-26 US disclosed
EP-2166856-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2010-03-31 EP disclosed
WO-2008154271-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-18 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-20100216746-A1 CHEMICAL COMPOUNDS SAMHD1, POLRMT, NUDT1 KDM4E 1070/4885KMT2A 751/4885MEN1 3585/4885

“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.