Indole

Indole

SCHEMBL5205084

NC(N)=O.c1ccc2[nH]ccc2c1

nearest known ligand 0.74

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.74
CA1 P00915 1/20 0.74
CA2 P00918 1/20 0.74
ITGB2 P05107 1/20 0.74
ICAM1 P05362 1/20 0.74
ITGAL P20701 1/20 0.74
CA4 P22748 1/20 0.74
CA6 P23280 1/20 0.74
AHR P35869 1/20 0.74
ADK P55263 1/20 0.74
PDPK1 O15530 1/20 0.48
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
ENPP2 Q13822 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CTNNB1 P35222 1/20 0.45
WNT3A P56704 1/20 0.45
F2 P00734 1/20 0.44
NPC1 O15118 2/20 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 SCHEMBL27631042 1.00 TRPA1 (0.74) TRPA1CA1CA2ITGB2ICAM1
Indole SCHEMBL29160563 0.94 TRPA1 (0.71) TRPA1CA1CA2ITGB2ICAM1
Indole SCHEMBL384964 0.94 TRPA1 (0.71) TRPA1CA1CA2ITGB2ICAM1
Indole SCHEMBL712897 0.92 TRPA1 (0.68) TRPA1CA1CA2ITGB2ICAM1
Indole SCHEMBL28479409 0.89 TRPA1 (0.77) TRPA1CA1CA2ITGB2ICAM1
Indole SCHEMBL28457095 0.89 AHR (0.85) TRPA1CA1CA2ITGB2ICAM1
Indole SCHEMBL6791278 0.89 AHR (0.85) TRPA1CA1CA2ITGB2ICAM1
Indole SCHEMBL6925060 0.88 TRPA1 (0.63) TRPA1CA1CA2ITGB2ICAM1
Indole SCHEMBL9185264 0.88 TRPA1 (0.63) TRPA1CA1CA2ITGB2ICAM1
Indole SCHEMBL30721 0.88 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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108003112-A Preparation among a kind of heterocyclic urea indoles amine -2,3- dioxygenase inhibitors 上海晋鲁医药科技有限公司 2018-05-08 CN claimed
US-20240002405-A1 ANTIMICROBIAL COMPOUNDS, SYNTHESIS METHODS, AND USES THEREOF ANKH LIFE SCIENCES LIMITED (IE) 2024-01-04 US disclosed
WO-2023235782-A2 ANTIMICROBIAL COMPOUNDS, SYNTHESIS METHODS, AND USES THEREOF ANKH LIFE SCIENCES LIMITED (IE) 2023-12-07 WO disclosed
CN-113248491-B Substituted indole urea derivatives, synthesis method and application thereof 中国科学院上海药物研究所 2022-02-25 CN disclosed
CN-113248491-B Substituted indole urea derivatives, synthesis method and application thereof 中国科学院上海药物研究所 2022-02-25 CN disclosed
CN-113248491-A Substituted indole urea derivatives, synthesis method and application thereof 中国科学院上海药物研究所 2021-08-13 CN disclosed
CN-113248491-A Substituted indole urea derivatives, synthesis method and application thereof 中国科学院上海药物研究所 2021-08-13 CN disclosed
CN-110128493-A The salt and its preparation method and application of pyranose substituted heterocyclic compound 亚宝药业集团股份有限公司 2019-08-16 CN disclosed
CN-107118209-B Pyrido [3,4-b ] indolylurea compounds and application thereof as IDO (intermediate compound) inhibitor 西华大学 2019-06-25 CN disclosed
CN-106866571-B Heterocyclic urea compound and its pharmaceutical composition and application 中国药科大学 2018-06-29 CN disclosed
WO-1998028357-A1 BIODEGRADABLE TARGETABLE MICROPARTICLE DELIVERY SYSTEM CONNAUGHT LABORATORIES LIMITED (CA) 1998-07-02 WO disclosed
EP-0544819-B1 INDOLE DERIVATIVES WHICH INHIBIT LEUKOTRIENE BIOSYNTHESIS ABBOTT LAB (US) 1995-12-06 EP disclosed
US-5459150-A Treatment of allergies and inflammatory diseases ABBOTT LABORATORIES (US) 1995-10-17 US disclosed
EP-0544819-A4 INDOLE DERIVATIVES WHICH INHIBIT LEUKOTRIENE BIOSYNTHESIS 1993-10-20 EP disclosed
CN-1076197-A The preparation method of indole urea derivative BEECHAM GROUP PLC (GB) 1993-09-15 CN disclosed
CN-1076197-A The preparation method of indole urea derivative BEECHAM GROUP PLC (GB) 1993-09-15 CN disclosed
CN-1076197-A The preparation method of indole urea derivative BEECHAM GROUP PLC (GB) 1993-09-15 CN disclosed
EP-0544819-A1 INDOLE DERIVATIVES WHICH INHIBIT LEUKOTRIENE BIOSYNTHESIS. ABBOTT LAB (US) 1993-06-09 EP disclosed
US-5095031-A Enzyme inhibitors, antiallergens, antiinflammatory ABBOTT LABORATORIES (US) 1992-03-10 US disclosed
WO-1992003132-A1 INDOLE DERIVATIVES WHICH INHIBIT LEUKOTRIENE BIOSYNTHESIS ABBOTT LABORATORIES (US) 1992-03-05 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-20240002405-A1 ANTIMICROBIAL COMPOUNDS, SYNTHESIS METHODS, AND USES THEREOF NOD2, MPO, LSS TRPA1 1390/4885CA1 3874/4885CA2 3183/4885

“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.