SCHEMBL212965

SCHEMBL212965

NC(c1ccc(C(=O)O)cc1)c1ccc2nccnc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGA O60502 3/20 0.47
NPC1 O15118 6/20 0.46
RAB9A P51151 6/20 0.46
MAPT P10636 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
PKM P14618 2/20 0.46
MITF O75030 1/20 0.46
GAA P10253 1/20 0.46
XBP1 P17861 1/20 0.46
PAX8 Q06710 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 3/20 0.43
ANPEP P15144 1/20 0.42
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41

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
SCHEMBL2593577 0.79 ANPEP (0.61) ALDH1A1ANPEPCYP2C19SMN1; SMN2TP53
SCHEMBL193423 0.77 MAPT (0.59) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL30390410 0.77 MAPT (0.59) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL212552 0.77 NPC1 (0.66) NPC1RAB9AMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL548656 0.76 MAPT (0.57) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL28612277 0.76 MAPT (0.57) NPC1RAB9AMAPTMEN1KMT2A
Lithium Ion SCHEMBL31133341 0.76 MAPT (0.57) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL211754 0.76 HDAC1 (0.73) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL16562179 0.74 ANPEP (0.55) ANPEPHDAC1HDAC8HDAC6SCD
SCHEMBL16562177 0.74 ANPEP (0.55) ANPEPHDAC1HDAC8HDAC6SCD

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 OGA 1094/4885NPC1 1293/4885RAB9A 3036/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 OGA 1184/4885NPC1 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.