SCHEMBL212825

SCHEMBL212825

COc1ccc2nc(Nc3ccc(C(=O)O)cc3)sc2c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.76
NPC1 O15118 10/20 0.76
RAB9A P51151 10/20 0.76
MEN1 O00255 9/20 0.76
MAPT P10636 7/20 0.76
SMN1; SMN2 Q16637 7/20 0.76
NFKB1 P19838 3/20 0.73
NFKB2 Q00653 3/20 0.73
RELA Q04206 3/20 0.73
SCD O00767 7/20 0.71
HTT P42858 3/20 0.67
ALDH1A1 P00352 3/20 0.67
GAA P10253 2/20 0.67
KDM4E B2RXH2 2/20 0.67
HPGD P15428 2/20 0.67
TDP1 Q9NUW8 1/20 0.67
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2C19 P33261 1/20 0.62
DYRK1A Q13627 1/20 0.62

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
SCHEMBL210667 0.90 MEN1 (0.76) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL210774 0.87 RAB9A (0.81) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL16554145 0.85 SCD (0.88) KMT2ANPC1RAB9AMEN1SMN1; SMN2
SCHEMBL16562121 0.83 SCD (0.89) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL2759505 0.83 MAPT (0.86) KMT2ANPC1RAB9AMEN1MAPT
Bicarbonate SCHEMBL2357944 0.83 NPC1 (0.61) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL16553834 0.83 SCD (1.00) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL1761319 0.82 SCD (0.63) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL2307313 0.82 NPC1 (0.60) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL14880886 0.82 MAPT (0.84) KMT2ANPC1RAB9AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
EP-1735319-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2006-12-27 EP disclosed
US-20050245518-A1 Antiproliferative agents METHYLGENE, INC. 2005-11-03 US disclosed
WO-2005092899-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2005-10-06 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 (2 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-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 KMT2A 68/4885NPC1 1293/4885RAB9A 3036/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 KMT2A 123/4885NPC1 1178/4885RAB9A 3239/4885

“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.