SCHEMBL1822283

SCHEMBL1822283

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

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 5/20 0.56
KDM4E B2RXH2 6/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
ALDH1A1 P00352 1/20 0.54
TP53 P04637 1/20 0.50
MAPT P10636 2/20 0.47
GAA P10253 2/20 0.47
PKM P14618 1/20 0.46
PTGER1 P34995 1/20 0.46
POLB P06746 1/20 0.45
G6PD P11413 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NPC1 O15118 2/20 0.44
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
RAB9A P51151 1/20 0.43

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
SCHEMBL1825552 0.89 POLB (0.52) MRGPRX4KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL1822709 0.89 MRGPRX4 (0.68) MRGPRX4KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL1828333 0.87 PKM (0.47) MRGPRX4KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL1824562 0.87 MRGPRX4 (0.60) MRGPRX4KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL1826216 0.85 MRGPRX4 (0.51) MRGPRX4KDM4EMEN1KMT2AALDH1A1
SCHEMBL1825782 0.85 MRGPRX4 (0.56) MRGPRX4KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL1825881 0.84 MRGPRX4 (0.53) MRGPRX4KDM4EMAPTPKM
SCHEMBL1827353 0.84 MRGPRX4 (0.58) MRGPRX4KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL1825488 0.80 THRA (0.52) MRGPRX4KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL1825789 0.80 THRA (0.49) MRGPRX4KDM4EMEN1KMT2ASMN1; SMN2

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 MRGPRX4 1127/4885KDM4E 4207/4885MEN1 1718/4885
US-20100029767-A1 ANTHRANILIC ACID DERIVATIVES ACOX3, BCL3, AOC3 MRGPRX4 1135/4885KDM4E 4172/4885MEN1 1752/4885

“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.