Indole

Indole

SCHEMBL2884198

NC(N)=S.c1ccc2[nH]ccc2c1

nearest known ligand 0.74

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 5/20 0.74
▸ TRPA1 O75762 1/20 0.74
▸ CA1 P00915 1/20 0.74
▸ CA2 P00918 1/20 0.74
▸ ITGB2 P05107 1/20 0.74
▸ ICAM1 P05362 1/20 0.74
▸ ITGAL P20701 1/20 0.74
▸ CA4 P22748 1/20 0.74
▸ CA6 P23280 1/20 0.74
▸ ADK P55263 1/20 0.74
▸ MAOA P21397 2/20 0.45
▸ MAOB P27338 2/20 0.45
▸ MAPK1 P28482 1/20 0.44
▸ F2 P00734 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ TYR P14679 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ ALOX15 P16050 1/20 0.42

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 SCHEMBL28274753 0.94 TRPA1 (0.71) AHRTRPA1CA1CA2ITGB2
Indole SCHEMBL28087941 0.92 AHR (0.63) AHRTRPA1CA1CA2ITGB2
Indole SCHEMBL28274751 0.92 AHR (0.68) AHRTRPA1CA1CA2ITGB2
Indole SCHEMBL29009234 0.90 AHR (0.65) AHRTRPA1CA1CA2ITGB2
Indole SCHEMBL6791278 0.89 AHR (0.85) AHRTRPA1CA1CA2ITGB2
Indole SCHEMBL15641723 0.88 TRPA1 (0.63) AHRTRPA1CA1CA2ITGB2
Indole SCHEMBL5205084 0.87 TRPA1 (0.74) AHRTRPA1CA1CA2ITGB2
Indole SCHEMBL28665753 0.87 AHR (0.74) AHRTRPA1CA1CA2ITGB2
Indole SCHEMBL27631042 0.87 TRPA1 (0.74) AHRTRPA1CA1CA2ITGB2
Indole SCHEMBL28372679 0.87 TRPA1 (0.61) AHRTRPA1CA1CA2ITGB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 — — US disclosed
US-7772271-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-10 — — US disclosed
EP-1984332-A2 METHODS FOR TREATING HEPATITIS C PTC Therapeutics, Inc. (US) 2008-10-29 — — EP disclosed
US-20070299068-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 — — US disclosed
WO-2007084413-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 — — 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-20070299068-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS AHR 3256/4885TRPA1 2497/4885CA1 1456/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS AHR 3256/4885TRPA1 2497/4885CA1 1456/4885

“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.

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