SCHEMBL1827181

SCHEMBL1827181

O=C(O)c1cc(C=Cc2ccc(Cl)cc2Cl)ccc1NC(=O)C1CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
KMT2A Q03164 1/20 0.49
KDM4E B2RXH2 4/20 0.47
HSD17B10 Q99714 4/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MAPK1 P28482 1/20 0.43
TSHR P16473 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
SRC P12931 1/20 0.41
SERPINE1 P05121 2/20 0.41
AKR1C4 P17516 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
AKR1C1 Q04828 1/20 0.40

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
SCHEMBL1825983 1.00 ALDH1A1 (0.50) ALDH1A1KMT2AKDM4EHSD17B10NPC1
SCHEMBL1826397 0.89 KMT2A (0.59) ALDH1A1KMT2AKDM4EHSD17B10NPC1
SCHEMBL1828809 0.89 KMT2A (0.59) ALDH1A1KMT2AKDM4EHSD17B10NPC1
SCHEMBL1824507 0.89 KMT2A (0.44) ALDH1A1KMT2AKDM4EHSD17B10TTR
SCHEMBL1824506 0.89 KMT2A (0.44) ALDH1A1KMT2AKDM4EHSD17B10TTR
SCHEMBL1827575 0.86 KMT2A (0.47) ALDH1A1KMT2AKDM4EHSD17B10RAB9A
SCHEMBL1826649 0.86 KMT2A (0.47) ALDH1A1KMT2AKDM4EHSD17B10RAB9A
SCHEMBL1826265 0.86 KMT2A (0.44) KMT2AKDM4ETSHR
SCHEMBL1826247 0.86 KMT2A (0.44) KMT2AKDM4ETSHR
SCHEMBL1824840 0.85 KDM4E (0.46) ALDH1A1KMT2AKDM4EHSD17B10NPC1

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 ALDH1A1 1441/4885KMT2A 3537/4885KDM4E 4207/4885
US-20100029767-A1 ANTHRANILIC ACID DERIVATIVES ACOX3, BCL3, AOC3 ALDH1A1 1429/4885KMT2A 3535/4885KDM4E 4172/4885

“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.