Indole

Indole

SCHEMBL30721

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

nearest known ligand 0.63

Full drug profile on Sugi Atlas →

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
PDPK1 O15530 1/20 0.43
CYP2A6 P11509 2/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
ENPP2 Q13822 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CTNNB1 P35222 1/20 0.41
WNT3A P56704 1/20 0.41
NPC1 O15118 2/20 0.40

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 0.88 TRPA1 (0.74) TRPA1CA1CA2ITGB2ICAM1
Indole SCHEMBL5205084 0.88 TRPA1 (0.74) TRPA1CA1CA2ITGB2ICAM1
Indole SCHEMBL7593945 0.87 TRPA1 (0.61) TRPA1CA1CA2ITGB2ICAM1
Indole SCHEMBL4752595 0.87 TRPA1 (0.65) TRPA1CA1CA2ITGB2ICAM1
Indole SCHEMBL29160563 0.86 TRPA1 (0.71) TRPA1CA1CA2ITGB2ICAM1
Indole SCHEMBL384964 0.86 TRPA1 (0.71) TRPA1CA1CA2ITGB2ICAM1
Indole SCHEMBL27547579 0.85 AHR (0.63) TRPA1CA1CA2ITGB2ICAM1
Indole SCHEMBL712897 0.85 TRPA1 (0.68) TRPA1CA1CA2ITGB2ICAM1
Indole SCHEMBL20819817 0.84 AHR (0.74) TRPA1CA1CA2ITGB2ICAM1
Indole SCHEMBL21723436 0.84 AHR (0.74) 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 91 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107417592-A A kind of oxoaGetamide derivative of 1H indoles 2 and preparation method and application 浙江师范大学行知学院 2017-12-01 CN claimed
CN-110627705-B N-benzyl indole thiosemicarbazone derivative, preparation and application 西北农林科技大学 2021-07-16 CN disclosed
CN-112294798-A Composition for reducing absorption of lipase inhibitor in digestive tract 中山万汉制药有限公司 2021-02-02 CN disclosed
CN-112263575-A Composition containing orlistat and indoxyl acetamide compound and application thereof 中山万汉制药有限公司 2021-01-26 CN disclosed
CN-107417592-A A kind of oxoaGetamide derivative of 1H indoles 2 and preparation method and application 浙江师范大学行知学院 2017-12-01 CN disclosed
EP-2417129-B1 TRIAZINE-ARYL-BIS-INDOLES AS PDE-4 INHIBITORS USEFUL FOR THE TREATMENT OF ASTHMA COUNCIL SCIENT IND RES (IN) 2016-03-23 EP disclosed
CN-102666529-B Triazine-aryl-bis-indoles and process for their preparation COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-01-20 CN disclosed
US-9085559-B2 Triazine-aryl-bis-indoles and process for preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-07-21 US disclosed
US-20120283263-A1 TRIAZINE-ARYL-BIS-INDOLES AND PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2012-11-08 US disclosed
CN-102666529-A Triazine-aryl-bis-indoles and process for their preparation COUNCIL SCIENT IND RES 2012-09-12 CN disclosed
US-5919943-A INHIBITION OF SPLA2 ELI LILLY AND COMPANY (US) 1999-07-06 US disclosed
WO-1999000360-A1 PROCESS FOR PREPARING 4-SUBSTITUTED-1H-INDOLE-3-GLYOXAMIDES ELI LILLY AND COMPANY (US) 1999-01-07 WO disclosed
EP-0887342-A2 Process for preparing 4-substituted-1H-indole-3-glyoxamides ELI LILLY AND COMPANY (US) 1998-12-30 EP disclosed
EP-0772592-A4 1H-INDOLE-1-FUNCTIONAL sPLA 2? INHIBITORS LILLY CO ELI (US) 1998-07-08 EP disclosed
US-5733923-A SECRETORY PANCREATIC PHOSPHOLIPASE A2 ELI LILLY AND COMPANY (US) 1998-03-31 US disclosed
US-5654326-A SEPTIC SHOCK; HUMAN NONPANCREATIC SECRETORY PHOSPHOLIPASE ELI LILLY AND COMPANY (US) 1997-08-05 US disclosed
US-5641800-A ALLEVIATE EFFECT OF SEPTIC SHOCK, ADULT RESPIRATORY DISTRESS SYNDROME, PANCREATITIS, TRAUMA, BRONCHIAL ASTHMA, ALLERGIC RHINITIS, AND RHEUMATOID ARTHRITIS ELI LILLY AND COMPANY (US) 1997-06-24 US disclosed
EP-0772592-A1 1H-INDOLE-1-FUNCTIONAL sPLA 2? INHIBITORS ELI LILLY AND COMPANY (US) 1997-05-14 EP disclosed
WO-1996003376-A1 1H-INDOLE-1-FUNCTIONAL sPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 1996-02-08 WO disclosed
EP-0675110-A1 1H-Indole-3-glyoxylamide sPLA2 inhibitors ELI LILLY AND COMPANY (US) 1995-10-04 EP 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-20120283263-A1 TRIAZINE-ARYL-BIS-INDOLES AND PROCESS FOR PREPARATION THEREOF AHR, IDO2, IDO1 TRPA1 162/4885CA1 4387/4885CA2 1631/4885

“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.