Indole

Indole

SCHEMBL1830474

c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1

nearest known ligand 0.81

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 7/20 0.81
▸ CA1 P00915 2/20 0.81
▸ CA4 P22748 2/20 0.81
▸ CA6 P23280 2/20 0.81
▸ TRPA1 O75762 1/20 0.81
▸ CA2 P00918 1/20 0.81
▸ ITGB2 P05107 1/20 0.81
▸ ICAM1 P05362 1/20 0.81
▸ ITGAL P20701 1/20 0.81
▸ ADK P55263 1/20 0.81
▸ NPC1 O15118 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.41
▸ NR4A2 P43354 2/20 0.40
▸ LTA4H P09960 2/20 0.40
▸ CYP2A6 P11509 1/20 0.40
▸ CMA1 P23946 1/20 0.40
▸ F7 P08709 1/20 0.40
▸ F3 P13726 1/20 0.40
▸ PARP1 P09874 1/20 0.40
▸ TYR P14679 1/20 0.40

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 SCHEMBL2473213 1.00 AHR (0.81) AHRCA1CA4CA6TRPA1
Indole SCHEMBL28120363 1.00 AHR (0.81) AHRCA1CA4CA6TRPA1
Indole SCHEMBL27892340 0.98 AHR (0.77) AHRCA1CA4CA6TRPA1
Indole SCHEMBL28008314 0.92 AHR (0.68) AHRCA1CA4CA6TRPA1
Indole SCHEMBL30463845 0.90 — —
Indole SCHEMBL29352896 0.90 — —
Indole SCHEMBL30250492 0.90 — —
Indole SCHEMBL1160186 0.90 AHR (1.00) AHRCA1CA4CA6TRPA1
Indole SCHEMBL698 0.90 — —
Indole SCHEMBL28071644 0.90 AHR (1.00) AHRCA1CA4CA6TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1711486-B1 BIS-INDOLE PYRROLES USEFUL AS ANTIMICROBIAL AGENTS NEREUS PHARMACEUTICALS INC (US) 2011-05-11 — — EP disclosed
US-7375129-B2 Bis-indole pyrroles useful as antimicrobials agents NEREUS PHARMACEUTICALS, INC. (US) 2008-05-20 — — US disclosed
US-20070149601-A1 Bis-indole pyrroles useful as antimicrobials agents PRIVATE LIFE BIOMED AG (DE) 2007-06-28 — — US disclosed
US-7166634-B2 Bis-indole pyrroles useful as antimicrobials agents NEREUS PHARMACEUTICALS, INC. (US) 2007-01-23 — — US disclosed
EP-1711486-A2 BIS-INDOLE PYRROLES USEFUL AS ANTIMICROBIALS AGENTS Nereus Pharmaceuticals, Inc. (US) 2006-10-18 — — EP disclosed
US-20050267192-A1 Bis-indole pyrroles useful as antimicrobials agents HBM BIOCAPITAL (EUR) L.P. (KY) 2005-12-01 — — US disclosed
WO-2005070922-A2 BIS-INDOLE PYRROLES USEFUL AS ANTIMICROBIALS AGENTS NEREUS PHARMACEUTICALS, INC. (US) 2005-08-04 — — WO disclosed
EP-0612742-A1 A physiologically active bisindole-pyrrole derivative SNOW BRAND MILK PRODUCTS CO., LTD. (JP) 1994-08-31 — — 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 (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-20070149601-A1 Bis-indole pyrroles useful as antimicrobials agents IDO1, IDO2, TPH1 AHR 100/4885CA1 4698/4885CA4 4687/4885
US-20050267192-A1 Bis-indole pyrroles useful as antimicrobials agents IDO1, IDO2, TPH1 AHR 100/4885CA1 4698/4885CA4 4687/4885

“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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