SCHEMBL1825552

SCHEMBL1825552

CCC(=O)Nc1ccc(COc2ccc(Br)cc2Br)cc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
KDM4E B2RXH2 3/20 0.48
PKM P14618 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
AKR1C2 P52895 2/20 0.45
AKR1C1 Q04828 2/20 0.45
MRGPRX4 Q96LA9 1/20 0.44
LMNA P02545 2/20 0.43
FOLH1 Q04609 3/20 0.43
DVL1 O14640 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAPK1 P28482 1/20 0.41
HPGD P15428 1/20 0.41
LRRK2 Q5S007 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
SCHEMBL1828333 0.89 PKM (0.47) POLBKDM4EPKMMEN1KMT2A
SCHEMBL1825782 0.89 MRGPRX4 (0.56) POLBKDM4EPKMTDP1MEN1
SCHEMBL1826249 0.89 POLB (0.50) POLBKDM4EPKMTDP1MEN1
SCHEMBL1822283 0.89 MRGPRX4 (0.56) POLBKDM4EPKMTDP1MEN1
SCHEMBL1826345 0.86 POLB (0.47) POLBKDM4EPKMTDP1MEN1
SCHEMBL1825881 0.86 MRGPRX4 (0.53) KDM4EPKMMRGPRX4LRRK2
SCHEMBL1826264 0.84 KDM4E (0.46) POLBKDM4EPKMTDP1MEN1
SCHEMBL1824548 0.81 KDM4E (0.49) POLBKDM4EPKMMEN1KMT2A
SCHEMBL1823645 0.80 KDM4E (0.42) POLBKDM4EPKMMEN1KMT2A
SCHEMBL1822709 0.80 MRGPRX4 (0.68) POLBKDM4EPKMMEN1KMT2A

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 12 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
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 POLB 2612/4885KDM4E 4207/4885PKM 3676/4885
US-20100029767-A1 ANTHRANILIC ACID DERIVATIVES ACOX3, BCL3, AOC3 POLB 2639/4885KDM4E 4172/4885PKM 3671/4885

“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.