Indole

Indole

SCHEMBL1475203

[SnH4].c1ccc2[nH]ccc2c1

nearest known ligand 0.94

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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
▸ CMA1 P23946 1/20 0.50
▸ TYR P14679 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.46
▸ GPR84 Q9NQS5 1/20 0.46
▸ CYP2A6 P11509 2/20 0.45
▸ ENPP2 Q13822 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ MAPK1 P28482 1/20 0.45

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 SCHEMBL27563309 0.97 AHR (0.90) AHRCA1CA4CA6TRPA1
Indole SCHEMBL28071644 0.97 AHR (1.00) AHRCA1CA4CA6TRPA1
Indole SCHEMBL30250492 0.97 — —
Indole SCHEMBL29352896 0.97 — —
Indole SCHEMBL698 0.97 — —
Indole SCHEMBL1160186 0.97 AHR (1.00) AHRCA1CA4CA6TRPA1
Indole SCHEMBL30463845 0.97 — —
Indole SCHEMBL25404194 0.94 AHR (0.94) AHRCA1CA4CA6TRPA1
Indole SCHEMBL1249957 0.94 AHR (0.94) AHRCA1CA4CA6TRPA1
Indole SCHEMBL17515233 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 107 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160207918-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2016-07-21 — — US disclosed
US-20160152615-A1 PRODRUGS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2016-06-02 — — US disclosed
US-20160075703-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2016-03-17 — — US disclosed
US-20150329543-A1 PRODRUGS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2015-11-19 — — US disclosed
US-20150259342-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2015-09-17 — — US disclosed
US-20150087652-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2015-03-26 — — US disclosed
US-20140135342-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2014-05-15 — — US disclosed
EP-1513832-B1 Indole, azaindole and related heterocyclic 4-alkenyl piperidine amides BRISTOL MYERS SQUIBB CO (US) 2014-03-05 — — EP disclosed
EP-1575493-B1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC SULFONYLUREIDO PIPERAZINE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2013-12-11 — — EP disclosed
US-20130289046-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2013-10-31 — — US disclosed
US-6573262-B2 Compounds for treating mammals infected with HIV virus BRISTOL-MYERS SQIBB COMPANY 2003-06-03 — — US disclosed
US-20030069266-A1 Aids therapy VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2003-04-10 — — US disclosed
US-20030069245-A1 Composition and antiviral activity of substituted indoleoxoacetic piperazine derivatives VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2003-04-10 — — US disclosed
EP-1299382-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED INDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-04-09 — — EP disclosed
WO-2003010141-A2 HEPATITIS C VIRUS POLYMERASE INHIBITORS WITH A HETEROBICYCLIC STRUCTURE BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2003-02-06 — — WO disclosed
WO-2003010140-A2 HEPATITIS C VIRUS POLYMERASE INHIBITORS WITH HETEROBICYCLIC STRUCTURE BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2003-02-06 — — WO disclosed
WO-2002062423-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-08-15 — — WO disclosed
WO-2002004440-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED INDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-01-17 — — WO disclosed
WO-2001094310-A1 METHODS FOR MAKING BIS-HETEROCYCLIC ALKALOIDS THE STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF OREGON STATE UNIVERSITY (US) 2001-12-13 — — WO disclosed
CN-1284064-A 2,3-substituted indole compounds as cox-2 inhibitors PFIZER PHARMA (US) 2001-02-14 — — CN 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 (10 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-20160152615-A1 PRODRUGS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IMPDH2, IDO1 AHR 1111/4885CA1 2750/4885CA4 1318/4885
US-20030069245-A1 Composition and antiviral activity of substituted indoleoxoacetic piperazine derivatives IDO1, IDO2, ITPA AHR 131/4885CA1 3599/4885CA4 2416/4885
US-20160075703-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IDO1, IDO2 AHR 1146/4885CA1 4453/4885CA4 2344/4885
US-20030069266-A1 Aids therapy ENTPD5, CCR5, ITPA AHR 1309/4885CA1 4721/4885CA4 3013/4885
US-20130289046-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS PREP, PEPD, DNPEP AHR 1685/4885CA1 2243/4885CA4 1001/4885
US-20150087652-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS PREP, PEPD, DNPEP AHR 1685/4885CA1 2243/4885CA4 1001/4885
US-20140135342-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS PREP, PEPD, DNPEP AHR 1685/4885CA1 2243/4885CA4 1001/4885
US-20150329543-A1 PRODRUGS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IMPDH2, IDO1 AHR 1111/4885CA1 2750/4885CA4 1318/4885
US-20150259342-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IDO1, IDO2 AHR 1146/4885CA1 4453/4885CA4 2344/4885
US-20160207918-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS PREP, PEPD, DNPEP AHR 1675/4885CA1 2411/4885CA4 965/4885

“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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