Sugi Predict

Sugi Predict / Compounds / Indole

Indole

Indole

SCHEMBL5317626

C=CCC=O.c1ccc2[nH]ccc2c1

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 5/20 0.61
▸ CA1 P00915 2/20 0.61
▸ CA4 P22748 2/20 0.61
▸ CA6 P23280 2/20 0.61
▸ TRPA1 O75762 1/20 0.61
▸ CA2 P00918 1/20 0.61
▸ ITGB2 P05107 1/20 0.61
▸ ICAM1 P05362 1/20 0.61
▸ ITGAL P20701 1/20 0.61
▸ ADK P55263 1/20 0.61
▸ CYP2A6 P11509 4/20 0.41
▸ CTNNB1 P35222 1/20 0.40
▸ WNT3A P56704 1/20 0.40
▸ NPC1 O15118 2/20 0.37
▸ PARP1 P09874 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA3 P07451 1/20 0.33
▸ CA5A P35218 1/20 0.33
▸ CA7 P43166 1/20 0.33

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 SCHEMBL28319121 0.89 AHR (0.71) AHRCA1CA4CA6TRPA1
Indole SCHEMBL27666786 0.83 AHR (0.68) AHRCA1CA4CA6TRPA1
Indole SCHEMBL26612366 0.81 AHR (0.65) AHRCA1CA4CA6TRPA1
Indole SCHEMBL6254730 0.81 AHR (0.65) AHRCA1CA4CA6TRPA1
Indole SCHEMBL3138428 0.81 AHR (0.65) AHRCA1CA4CA6TRPA1
Indole SCHEMBL28833833 0.81 CA1 (0.65) AHRCA1CA4CA6TRPA1
Indole SCHEMBL5317619 0.81 TRPA1 (0.59) AHRCA1CA4CA6TRPA1
Indole SCHEMBL11402854 0.81 AHR (0.77) AHRCA1CA4CA6TRPA1
Indole SCHEMBL5851080 0.80 AHR (0.85) AHRCA1CA4CA6TRPA1
Indole SCHEMBL27470854 0.80 AHR (0.85) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1537122-B9 ANTIDEPRESSANT INDOLEALKYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXAN METHYLAMINES WYETH CORP (US) 2007-10-31 — — EP disclosed
EP-1537122-B1 ANTIDEPRESSANT INDOLEALKYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXAN METHYLAMINES WYETH CORP (US) 2007-08-22 — — EP disclosed
EP-1537122-A1 ANTIDEPRESSANT INDOLEALKYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXAN METHYLAMINES Wyeth (US) 2005-06-08 — — EP disclosed
US-6800637-B2 Antidepressant indolealkyl derivatives of heterocycle-fused benzodioxan methylamines WYETH 2004-10-05 — — US disclosed
US-20040138222-A1 Antidepressant indolealkyl derivatives of heterocycle-fused benzodioxan methylamines WYETH 2004-07-15 — — US disclosed
WO-2004024734-A1 ANTIDEPRESSANT INDOLEALKYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXAN METHYLAMINES WYETH (US) 2004-03-25 — — 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 (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-20040138222-A1 Antidepressant indolealkyl derivatives of heterocycle-fused benzodioxan methylamines HTR5A, TPH1, DBH AHR 761/4885CA1 4738/4885CA4 4737/4885

“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.