Indole

Indole

SCHEMBL2000860

[Ar].c1ccc2[nH]ccc2c1

nearest known ligand 0.94

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 7/20 0.94
CA1 P00915 2/20 0.94
CA4 P22748 2/20 0.94
CA6 P23280 2/20 0.94
TRPA1 O75762 1/20 0.94
CA2 P00918 1/20 0.94
ITGB2 P05107 1/20 0.94
ICAM1 P05362 1/20 0.94
ITGAL P20701 1/20 0.94
ADK P55263 1/20 0.94
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 1/20 0.46
CYP2A6 P11509 3/20 0.44
NR4A2 P43354 2/20 0.44
CMA1 P23946 1/20 0.44
F7 P08709 1/20 0.44
LTA4H P09960 1/20 0.44
F3 P13726 1/20 0.44
PARP1 P09874 1/20 0.44
TYR P14679 1/20 0.44

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 SCHEMBL28071644 0.97 AHR (1.00) AHRCA1CA4CA6TRPA1
Indole SCHEMBL29352896 0.97
Indole SCHEMBL30250492 0.97
Indole SCHEMBL30463845 0.97
Indole SCHEMBL698 0.97
Indole SCHEMBL1160186 0.97 AHR (1.00) AHRCA1CA4CA6TRPA1
Indole SCHEMBL23886438 0.94 AHR (0.94) AHRCA1CA4CA6TRPA1
Indole SCHEMBL2346637 0.94 AHR (0.94) AHRCA1CA4CA6TRPA1
Indole SCHEMBL1475229 0.94 AHR (0.94) AHRCA1CA4CA6TRPA1
Indole SCHEMBL22077723 0.94 AHR (0.94) 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-2078029-B1 ENANTIOMERICALLY PURE PHOSPHOINDOLE AS HIV INHIBITOR IDENIX PHARMACEUTICALS INC (US) 2014-05-14 EP disclosed
US-8486991-B2 Enantiomerically pure phosphoindoles as HIV inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2013-07-16 US disclosed
US-20110257129-A1 ENANTIOMERICALLY PURE PHOSPHOINDOLES AS HIV INHIBITORS IDENIX PHARMACEUTICALS, INC. 2011-10-20 US disclosed
US-7960428-B2 (2-carbamoyl-5-chloro-1H-indol-3-yl)-[3-((E)-2-cyano-vinyl)-5-methyl-phenyl]-(S)-phosphinic acid methyl ester; Flaviviruses; bioavailability; pharmacokinetics IDENIX PHARMACEUTICALS, INC. (US) 2011-06-14 US disclosed
EP-2078029-A2 ENANTIOMERICALLY PURE PHOSPHOINDOLES AS HIV INHIBITORS IDENIX Pharmaceuticals, Inc. (US) 2009-07-15 EP disclosed
US-20080213217-A1 Enantiomerically pure phosphoindoles as HIV inhibitors IDENIX PHARMACEUTICALS, INC. 2008-09-04 US disclosed
WO-2008042240-A9 ENANTIOMERICALLY PURE PHOSPHOINDOLES AS HIV INHIBITORS IDENIX PHARMACEUTICALS INC (US) 2008-08-07 WO disclosed
WO-2008042240-A2 ENANTIOMERICALLY PURE PHOSPHOINDOLES AS HIV INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2008-04-10 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-20110257129-A1 ENANTIOMERICALLY PURE PHOSPHOINDOLES AS HIV INHIBITORS DUSP3, PNP, PPP5C AHR 3125/4885CA1 4843/4885CA4 4730/4885
US-20080213217-A1 Enantiomerically pure phosphoindoles as HIV inhibitors DUSP3, PNP, PPP5C AHR 3125/4885CA1 4843/4885CA4 4730/4885

“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.