Indole

Indole

SCHEMBL7561661

NNC(=O)NN.c1ccc2[nH]ccc2c1

nearest known ligand 0.63

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.63
▸ CA1 P00915 1/20 0.63
▸ CA2 P00918 1/20 0.63
▸ ITGB2 P05107 1/20 0.63
▸ ICAM1 P05362 1/20 0.63
▸ ITGAL P20701 1/20 0.63
▸ CA4 P22748 1/20 0.63
▸ CA6 P23280 1/20 0.63
▸ AHR P35869 1/20 0.63
▸ ADK P55263 1/20 0.63
▸ KDM4E B2RXH2 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ GAA P10253 2/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ NPC1 O15118 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ HPGD P15428 1/20 0.41
▸ ENPP2 Q13822 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41

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 SCHEMBL27493709 0.87 TRPA1 (0.61) TRPA1CA1CA2ITGB2ICAM1
Indole SCHEMBL27631042 0.84 TRPA1 (0.74) TRPA1CA1CA2ITGB2ICAM1
Indole SCHEMBL5205084 0.84 TRPA1 (0.74) TRPA1CA1CA2ITGB2ICAM1
Indole SCHEMBL29160563 0.82 TRPA1 (0.71) TRPA1CA1CA2ITGB2ICAM1
Indole SCHEMBL384964 0.82 TRPA1 (0.71) TRPA1CA1CA2ITGB2ICAM1
Indole SCHEMBL28479409 0.82 TRPA1 (0.77) TRPA1CA1CA2ITGB2ICAM1
Indole SCHEMBL28457095 0.82 AHR (0.85) TRPA1CA1CA2ITGB2ICAM1
Indole SCHEMBL6791278 0.82 AHR (0.85) TRPA1CA1CA2ITGB2ICAM1
Indole SCHEMBL677560 0.81 AHR (0.63) TRPA1CA1CA2ITGB2ICAM1
Indole SCHEMBL15641723 0.81 TRPA1 (0.63) TRPA1CA1CA2ITGB2ICAM1

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
CN-112771034-B Heteroaryl azole compound and pest control agent 日本曹达株式会社 2024-02-09 — — CN disclosed
CN-112930339-B (hetero) arylimidazole compound and pest control agent 日本曹达株式会社 2023-11-03 — — CN disclosed
US-20020091148-A1 3-substituted indole antiproliferative angiogenesis inhibitors ABBOTT LABORATORIES 2002-07-11 — — US disclosed
WO-2002022576-A3 3-SUBSTITUTED INDOLE CARBOHYDRAZIDES USEFUL AS CELL PROLIFERATION AND ANGIOGENESIS INHIBITORS ABBOTT LAB (US) 2002-07-04 — — WO disclosed
WO-2002022576-A2 3-SUBSTITUTED INDOLE CARBOHYDRAZIDES USEFUL AS CELL PROLIFERATION AND ANGIOGENESIS INHIBITORS ABBOTT LABORATORIES (US) 2002-03-21 — — WO disclosed
US-6323228-B1 INHIBITING ANGIOGENESIS IN A MAMMAL IN RECOGNIZED NEED OF SUCH TREATMENT COMPRISING ADMINISTERING TO THE MAMMAL WITH INDOLE SUBSTITUTED WITH HYDRAZIDES ABBOTT LABORATORIES 2001-11-27 — — US 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-20020091148-A1 3-substituted indole antiproliferative angiogenesis inhibitors MKI67, FLT4, IDO1 TRPA1 4438/4885CA1 2131/4885CA2 877/4885

“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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