Sugi Predict

Sugi Predict / Compounds / Indole

Indole

Indole

SCHEMBL4075709

C1CCCNCC1.c1ccc2[nH]ccc2c1

nearest known ligand 0.71

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 4/20 0.71
▸ TRPA1 O75762 1/20 0.71
▸ CA1 P00915 1/20 0.71
▸ CA2 P00918 1/20 0.71
▸ ITGB2 P05107 1/20 0.71
▸ ICAM1 P05362 1/20 0.71
▸ ITGAL P20701 1/20 0.71
▸ CA4 P22748 1/20 0.71
▸ CA6 P23280 1/20 0.71
▸ ADK P55263 1/20 0.71
▸ SLC6A2 P23975 9/20 0.42
▸ SLC6A4 P31645 9/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ ADRB1 P08588 1/20 0.40
▸ HTR6 P50406 1/20 0.40
▸ SLC6A3 Q01959 8/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ IMPDH2 P12268 1/20 0.37
▸ IMPDH1 P20839 1/20 0.37
▸ CYP2A6 P11509 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
Indole SCHEMBL7643909 1.00 AHR (0.71) AHRTRPA1CA1CA2ITGB2
Indole SCHEMBL6323417 0.98 AHR (0.74) AHRTRPA1CA1CA2ITGB2
Indole SCHEMBL28905552 0.91 AHR (0.85) AHRTRPA1CA1CA2ITGB2
Indole SCHEMBL29116462 0.89 TRPA1 (0.57) AHRTRPA1CA1CA2ITGB2
Indole SCHEMBL27715267 0.89 TRPA1 (0.57) AHRTRPA1CA1CA2ITGB2
Indole SCHEMBL3799689 0.89 AHR (0.81) AHRTRPA1CA1CA2ITGB2
Indole SCHEMBL1173439 0.89 AHR (0.90) AHRTRPA1CA1CA2ITGB2
Indole SCHEMBL28874658 0.89 AHR (0.90) AHRTRPA1CA1CA2ITGB2
Indole SCHEMBL28594059 0.89 AHR (0.90) AHRTRPA1CA1CA2ITGB2
Indole SCHEMBL6626472 0.89 AHR (0.90) 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
WO-2013016531-A2 COMPOUNDS AND METHODS FOR USE IN TREATING NEOPLASIA AND CANCER PURDUE RESEARCH FOUNDATION (US) 2013-01-31 — — WO disclosed
US-8084471-B2 Proteomimetic compounds as inhibitors of the interaction of nuclear receptor with coactivator peptides YALE UNIVERSITY (US) 2011-12-27 — — US disclosed
US-20090220586-A1 PROTEOMIMETIC COMPOUNDS AS INHIBITORS OF THE INTERACTION OF NUCLEAR RECEPTOR WITH COACTIVATOR PEPTIDES YALE UNIVERSITY (US) 2009-09-03 — — US disclosed
WO-2009048541-A2 COMPOUNDS AND METHODS FOR USE IN TREATING NEOPLASIA AND CANCER PURDUE RESEARCH FOUNDATION (US) 2009-04-16 — — WO disclosed
WO-2008030408-A2 PROTEOMIMETIC COMPOUNDS AS INHIBITORS OF THE INTERACTION OF A NUCLEAR RECEPTOR WITH COACTIVATOR PEPTIDES YALE UNIVERSITY (US) 2008-03-13 — — 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-20090220586-A1 PROTEOMIMETIC COMPOUNDS AS INHIBITORS OF THE INTERACTION OF NUCLEAR RECEPTOR WITH COACTIVATOR PEPTIDES NCOA1, NCOA2, NCOA3 AHR 1880/4885TRPA1 4289/4885CA1 3626/4885

“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.