SCHEMBL1318540

SCHEMBL1318540

O=C(O)c1cc(N2CCCCC2)ccc1OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 11/20 0.64
FOLH1 Q04609 1/20 0.56
MRGPRX4 Q96LA9 2/20 0.54
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
POLB P06746 1/20 0.52
CYP3A4 P08684 2/20 0.52
SLCO1B1 Q9Y6L6 2/20 0.52
IP6K1 Q92551 1/20 0.51
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
TP53 P04637 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
ALOX12 P18054 1/20 0.49
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
KCNH2 Q12809 1/20 0.48

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
SCHEMBL1315758 0.89 LRRK2 (0.61) LRRK2MRGPRX4KDM4EALDH1A1L3MBTL1
SCHEMBL1316513 0.88 LRRK2 (0.63) LRRK2KDM4EALDH1A1L3MBTL1CYP3A4
SCHEMBL1317670 0.88 LRRK2 (0.66) LRRK2FOLH1MRGPRX4KDM4EALDH1A1
SCHEMBL1647466 0.88 LRRK2 (0.66) LRRK2FOLH1CYP3A4SLCO1B1KMT2A
SCHEMBL2574186 0.83 LRRK2 (0.62) LRRK2CYP3A4SLCO1B1KCNH2
SCHEMBL19381653 0.83 ALDH1A1 (0.55) LRRK2KDM4EALDH1A1L3MBTL1MEN1
SCHEMBL19381655 0.81 MEN1 (0.53) LRRK2MRGPRX4KDM4EALDH1A1L3MBTL1
SCHEMBL19381141 0.81 MEN1 (0.53) LRRK2MRGPRX4KDM4EALDH1A1L3MBTL1
SCHEMBL19381657 0.81 MEN1 (0.53) LRRK2MRGPRX4KDM4EALDH1A1L3MBTL1
SCHEMBL19381658 0.81 ALDH1A1 (0.56) LRRK2KDM4EALDH1A1L3MBTL1MEN1

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
CN-102333757-B N-acyl anthranilic acid derivative or salt thereof TOYAMA CHEMICAL CO LTD 2014-11-26 CN disclosed
EP-2483254-B1 NOVEL COMPOUNDS GLAXO GROUP LTD (GB) 2014-08-13 EP disclosed
US-8778939-B2 Compounds GLAXO GROUP LIMITED (GB) 2014-07-15 US disclosed
US-8492582-B2 N-acyl anthranilic acid derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2013-07-23 US disclosed
EP-2483254-A1 NOVEL COMPOUNDS Glaxo Group Limited (GB) 2012-08-08 EP disclosed
US-20120184553-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-07-19 US disclosed
CN-102333757-A N-acyl anthranilic acid derivative or salt thereof TOYAMA CHEMICAL CO LTD 2012-01-25 CN disclosed
US-20110275797-A1 N-ACYL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2011-11-10 US disclosed
EP-2385036-A1 N-ACYL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF Toyama Chemical Co., Ltd. (JP) 2011-11-09 EP disclosed
WO-2011038572-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-04-07 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-20110275797-A1 N-ACYL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF COL14A1, COL2A1, COL1A1 LRRK2 1813/4885FOLH1 3884/4885MRGPRX4 3286/4885
US-20120184553-A1 NOVEL COMPOUNDS LRRK2, PARK7, PINK1 LRRK2 1/4885FOLH1 4250/4885MRGPRX4 4115/4885

“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.