SCHEMBL1828809

SCHEMBL1828809

O=C(O)c1cc(C=Cc2ccc(Cl)cc2F)ccc1NC(=O)C1CC1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.59
KDM4E B2RXH2 4/20 0.46
HSD17B10 Q99714 4/20 0.46
ALDH1A1 P00352 2/20 0.43
TSHR P16473 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
SERPINE1 P05121 3/20 0.40
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
GRIK1 P39086 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
APP P05067 1/20 0.39
KCNK2 O95069 1/20 0.38
KCNK10 P57789 1/20 0.38

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
SCHEMBL1826397 1.00 KMT2A (0.59) KMT2AKDM4EHSD17B10ALDH1A1TSHR
SCHEMBL1824959 0.89 L3MBTL1 (0.48) KMT2AKDM4EHSD17B10HTTGAA
SCHEMBL1824957 0.89 L3MBTL1 (0.48) KMT2AKDM4EHSD17B10HTTGAA
SCHEMBL1827181 0.89 ALDH1A1 (0.50) KMT2AKDM4EHSD17B10ALDH1A1TSHR
SCHEMBL1825983 0.89 ALDH1A1 (0.50) KMT2AKDM4EHSD17B10ALDH1A1TSHR
SCHEMBL1824143 0.87 KMT2A (0.54) KMT2AKDM4EHSD17B10ALDH1A1TSHR
SCHEMBL1827538 0.87 KMT2A (0.54) KMT2AKDM4EHSD17B10ALDH1A1TSHR
SCHEMBL1827575 0.87 KMT2A (0.47) KMT2AKDM4EHSD17B10ALDH1A1TSHR
SCHEMBL1826649 0.87 KMT2A (0.47) KMT2AKDM4EHSD17B10ALDH1A1TSHR
SCHEMBL1827461 0.85 KMT2A (0.50) KMT2AKDM4EHSD17B10TSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461205-B2 Anthranilic acid derivatives CHELSEA THERAPEUTICS, INC. (US) 2013-06-11 US claimed
US-20120283326-A1 ANTHRANILIC ACID DERIVATIVES CHELSEA THERAPEUTICS, INC. 2012-11-08 US claimed
US-8263658-B2 Anthranilic acid derivatives CHELSEA THERAPEUTICS, INC. (US) 2012-09-11 US claimed
EP-2118051-B1 NEW COMPOUNDS, METHODS FOR THEIR PREPARATION AND USE THEREOF CHELSEA THERAPEUTICS INC (US) 2011-05-04 EP claimed
US-20100029767-A1 ANTHRANILIC ACID DERIVATIVES Chelsea Therapeutics, Inc 2010-02-04 US claimed
EP-2118051-A1 NEW COMPOUNDS, METHODS FOR THEIR PREPARATION AND USE THEREOF Chelsea Therapeutics, Inc. (US) 2009-11-18 EP claimed
WO-2008097180-A1 NEW COMPOUNDS, METHODS FOR THEIR PREPARATION AND USE THEREOF CHELSEA THERAPEUTICS, INC. (US) 2008-08-14 WO claimed
US-8461205-B2 Anthranilic acid derivatives CHELSEA THERAPEUTICS, INC. (US) 2013-06-11 US disclosed
US-20120283326-A1 ANTHRANILIC ACID DERIVATIVES CHELSEA THERAPEUTICS, INC. 2012-11-08 US disclosed
US-8263658-B2 Anthranilic acid derivatives CHELSEA THERAPEUTICS, INC. (US) 2012-09-11 US disclosed
EP-2118051-B1 NEW COMPOUNDS, METHODS FOR THEIR PREPARATION AND USE THEREOF CHELSEA THERAPEUTICS INC (US) 2011-05-04 EP disclosed
US-20100029767-A1 ANTHRANILIC ACID DERIVATIVES Chelsea Therapeutics, Inc 2010-02-04 US disclosed
EP-2118051-A1 NEW COMPOUNDS, METHODS FOR THEIR PREPARATION AND USE THEREOF Chelsea Therapeutics, Inc. (US) 2009-11-18 EP disclosed
WO-2008097180-A1 NEW COMPOUNDS, METHODS FOR THEIR PREPARATION AND USE THEREOF CHELSEA THERAPEUTICS, INC. (US) 2008-08-14 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-20120283326-A1 ANTHRANILIC ACID DERIVATIVES ACOX3, BCL3, AOC3 KMT2A 3537/4885KDM4E 4207/4885HSD17B10 1370/4885
US-20100029767-A1 ANTHRANILIC ACID DERIVATIVES ACOX3, BCL3, AOC3 KMT2A 3535/4885KDM4E 4172/4885HSD17B10 1349/4885

“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.