Indole

Indole

SCHEMBL2170920

NCCC(=O)O.c1ccc2[nH]ccc2c1

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
ITGB2 P05107 1/20 0.59
ICAM1 P05362 1/20 0.59
ITGAL P20701 1/20 0.59
CA4 P22748 1/20 0.59
CA6 P23280 1/20 0.59
AHR P35869 1/20 0.59
ADK P55263 1/20 0.59
CTNNB1 P35222 4/20 0.49
WNT3A P56704 4/20 0.49
SMYD3 Q9H7B4 2/20 0.44
FFAR4 Q5NUL3 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
ENPP2 Q13822 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NPC1 O15118 2/20 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
Indole SCHEMBL6835663 0.91 TRPA1 (0.65) TRPA1CA1CA2ITGB2ICAM1
Indole SCHEMBL16757645 0.89 TRPA1 (0.63) TRPA1CA1CA2ITGB2ICAM1
Indole SCHEMBL28576095 0.88 TRPA1 (0.61) TRPA1CA1CA2ITGB2ICAM1
Indole SCHEMBL8664418 0.86 TRPA1 (0.59) TRPA1CA1CA2ITGB2ICAM1
Indole SCHEMBL412813 0.85 TRPA1 (0.57) TRPA1CA1CA2ITGB2ICAM1
Indole SCHEMBL28967497 0.85 TRPA1 (0.57) TRPA1CA1CA2ITGB2ICAM1
Indole SCHEMBL30850035 0.85 TRPA1 (0.57) TRPA1CA1CA2ITGB2ICAM1
Indole SCHEMBL16757696 0.85 CA1 (0.49) TRPA1CA1CA2ITGB2ICAM1
Indole SCHEMBL1714414 0.84 TRPA1 (0.65) TRPA1CA1CA2ITGB2ICAM1
Indole SCHEMBL384964 0.83 TRPA1 (0.71) TRPA1CA1CA2ITGB2ICAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2346830-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE Merck Sharp & Dohme Corp. (US) 2011-07-27 EP disclosed
US-20110172256-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK SHARP & DOHME LLC 2011-07-14 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 (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-20110172256-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE GCGR, GLP1R, GPR119 TRPA1 2634/4885CA1 2428/4885CA2 1288/4885

“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.