SCHEMBL2086906

SCHEMBL2086906

c1ccc2c(c1)COc1ccccc1[N]2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 3/20 0.48
GAA P10253 3/20 0.48
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.42
KMT2A Q03164 1/20 0.42
ALOX12 P18054 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
ABCG2 Q9UNQ0 1/20 0.37
ITGB2 P05107 1/20 0.37
ICAM1 P05362 1/20 0.37
ITGAL P20701 1/20 0.37
NOS3 P29474 1/20 0.36

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
SCHEMBL341904 0.77 KDM4E (0.47) LMNANPC1RAB9AKDM4EALDH1A1
SCHEMBL3085422 0.77 MAOA (0.47) LMNANPC1RAB9AKDM4EALDH1A1
SCHEMBL30349594 0.73
SCHEMBL346944 0.73
SCHEMBL10170816 0.73 OXTR (0.52) LMNANPC1RAB9AKDM4EALDH1A1
SCHEMBL25520 0.73 TRPA1 (0.52) LMNANPC1RAB9AKDM4EALDH1A1
SCHEMBL1651152 0.72 NOS3 (0.48) LMNANPC1RAB9AKDM4EALDH1A1
SCHEMBL11035108 0.72 TRPA1 (0.58) LMNANPC1RAB9AKDM4EALDH1A1
Bromide SCHEMBL22498666 0.71
SCHEMBL28675786 0.71

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6235730-B1 ANTICHOLESTEROL AGENT, ANTILIPEMIC AGENT JAPAN TOBACCO, INC. (JP) 2001-05-22 US claimed
EP-0970954-A1 3-PIPERIDYL-4-OXOQUINAZOLINE DERIVATIVES AND MEDICINCAL COMPOSITIONS CONTAINING THE SAME JAPAN TOBACCO INC. (JP) 2000-01-12 EP claimed
US-7897788-B2 Indol-1-yl-acetic acid derivatives ACTELION PHARMACEUTICAL LTD. (CH) 2011-03-01 US disclosed
EP-1740171-B1 INDOL-1-YL-ACETIC ACID DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-06-09 EP disclosed
US-20070208004-A1 Indol-1-yl-acetic acid derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2007-09-06 US disclosed
US-6235730-B1 ANTICHOLESTEROL AGENT, ANTILIPEMIC AGENT JAPAN TOBACCO, INC. (JP) 2001-05-22 US disclosed
EP-0970954-A1 3-PIPERIDYL-4-OXOQUINAZOLINE DERIVATIVES AND MEDICINCAL COMPOSITIONS CONTAINING THE SAME JAPAN TOBACCO INC. (JP) 2000-01-12 EP 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 (1 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-20070208004-A1 Indol-1-yl-acetic acid derivatives IDO1, IDO2, AANAT LMNA 1896/4885NPC1 1800/4885RAB9A 1785/4885

“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.