SCHEMBL1828191

SCHEMBL1828191

O=C(O)c1cc(OCc2ccc(Br)c(C(F)(F)F)c2)ccc1NC(=O)C1CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
HSD17B10 Q99714 1/20 0.47
TAS2R14 Q9NYV8 1/20 0.42
F10 P00742 4/20 0.42
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
HPGD P15428 1/20 0.39
BRAF P15056 1/20 0.39
KDR P35968 1/20 0.39
ITGA4 P13612 1/20 0.39
S1PR1 P21453 2/20 0.39
DHODH Q02127 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
CTSV O60911 1/20 0.38
CTSL P07711 1/20 0.38
RIPK1 Q13546 1/20 0.38
RIPK3 Q9Y572 1/20 0.38
POLB P06746 1/20 0.38
RBP4 P02753 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
SCHEMBL1823586 0.96 KDM4E (0.44) KDM4EHSD17B10TAS2R14F10MEN1
SCHEMBL1822714 0.92 KDM4E (0.49) KDM4EHSD17B10F10MEN1GAA
SCHEMBL1827185 0.92 KDM4E (0.50) KDM4EHSD17B10F10MEN1GAA
SCHEMBL1825497 0.90 KDM4E (0.47) KDM4EHSD17B10F10MEN1GAA
SCHEMBL1825233 0.89 KDR (0.49) KDM4EHSD17B10F10MEN1KMT2A
SCHEMBL1825932 0.88 S1PR1 (0.50) KDM4EHSD17B10BRAFKDRS1PR1
SCHEMBL1825725 0.88 KDM4E (0.47) KDM4EHSD17B10F10MEN1GAA
SCHEMBL1821770 0.88 KDM4E (0.52) KDM4EHSD17B10F10MEN1GAA
SCHEMBL1824147 0.87 KDM4E (0.47) KDM4EHSD17B10F10MEN1GAA
SCHEMBL1825382 0.87 KDM4E (0.49) KDM4EHSD17B10F10MEN1GAA

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 10 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
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

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 KDM4E 4207/4885HSD17B10 1370/4885TAS2R14 4094/4885
US-20100029767-A1 ANTHRANILIC ACID DERIVATIVES ACOX3, BCL3, AOC3 KDM4E 4172/4885HSD17B10 1349/4885TAS2R14 4088/4885

“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.