SCHEMBL2398840

SCHEMBL2398840

c1cc2c(ccc3[nH]ccc32)[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 5/20 0.52
PARP1 P09874 1/20 0.48
RHEB Q15382 4/20 0.42
PIK3CD O00329 1/20 0.41
TRPA1 O75762 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ITGB2 P05107 1/20 0.41
ICAM1 P05362 1/20 0.41
ITGAL P20701 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
ADK P55263 1/20 0.41
NR4A2 P43354 2/20 0.40
CYP2A6 P11509 1/20 0.40
F7 P08709 1/20 0.40
LTA4H P09960 1/20 0.40
F3 P13726 1/20 0.40
USP2 O75604 1/20 0.40
GAA P10253 1/20 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
SCHEMBL280428 0.80 ALDH1A1 (0.55) AHRPARP1RHEBTRPA1CA1
SCHEMBL29628855 0.80 ALDH1A1 (0.55) AHRPARP1RHEBTRPA1CA1
Water SCHEMBL3636507 0.78 ALDH1A1 (0.52) AHRPARP1RHEBTRPA1CA1
Bromide SCHEMBL7761036 0.78 ALDH1A1 (0.52) AHRPARP1RHEBTRPA1CA1
Iodide SCHEMBL6832071 0.78 ALDH1A1 (0.52) AHRPARP1RHEBTRPA1CA1
Hydrochloric Acid SCHEMBL7799642 0.78 ALDH1A1 (0.52) AHRPARP1RHEBTRPA1CA1
SCHEMBL4420829 0.76 AOC3 (0.38) AHRPARP1RHEBNR4A2CYP2A6
SCHEMBL4418490 0.76 AHR (0.36) AHRPARP1RHEBPIK3CDGAA
SCHEMBL2126075 0.76 HPRT1 (0.58) AHRPARP1RHEBTRPA1CA1
Water SCHEMBL10356864 0.76 ALDH1A1 (0.50) AHRPARP1RHEBTRPA1CA1

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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114181216-A Preparation method of 3, 6-dihydropyrrolo [3,2-e ] indole-2-methyl formate 苏州新药篮生物医药科技有限公司 2022-03-15 CN claimed
US-7351266-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-04-01 US claimed
EP-1720615-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2006-11-15 EP claimed
WO-2005087187-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-09-22 WO claimed
US-20050193504-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-08 US claimed
EP-1409480-A1 PYRROLO-INDOLE AND PYRROLO-QUINOLINE DERIVATIVES AS PRODRUGS FOR TUMOUR TREATMENT THE SCHOOL OF PHARMACY, UNIVERSITY OF LONDON (GB) 2004-04-21 EP claimed
WO-2002068412-A1 PYRROLO-INDOLE AND PYRROLO-QUINOLINE DERIVATIVES AS PRODRUGS FOR TUMOUR TREATMENT SCHOOL OF PHARMACY, UNIVERSITY OF LONDON (GB) 2002-09-06 WO claimed
EP-0680964-B1 PYRROLO [3,2-e]INDOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND THEIR USE UNIV SANTIAGO COMPOSTELA (ES) 2002-01-16 EP claimed
EP-0680964-A1 NEW PIRROLO 3,2-e]INDOL DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND APPLICATIONS UNIVERSIDAD DE SANTIAGO DE COMPOSTELA (ES) 1995-11-08 EP claimed
WO-1995014022-A1 NEW PIRROLO [3,2-e]INDOL DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND APPLICATIONS UNIVERSIDAD DE SANTIAGO DE COMPOSTELA (ES) 1995-05-26 WO claimed
CN-118852180-A Alkylated benzo 3, 6-dihydropyrrole [3,2-E ] indole molecule and preparation method, application, hydrogen storage method and hydrogen release method thereof 北京化工大学 2024-10-29 CN disclosed
CN-114181216-A Preparation method of 3, 6-dihydropyrrolo [3,2-e ] indole-2-methyl formate 苏州新药篮生物医药科技有限公司 2022-03-15 CN disclosed
CN-114181216-A Preparation method of 3, 6-dihydropyrrolo [3,2-e ] indole-2-methyl formate 苏州新药篮生物医药科技有限公司 2022-03-15 CN disclosed
CN-114181216-A Preparation method of 3, 6-dihydropyrrolo [3,2-e ] indole-2-methyl formate 苏州新药篮生物医药科技有限公司 2022-03-15 CN disclosed
US-8017640-B2 Benz-indole and benzo-quinoline derivatives as prodrugs for tumor treatment UNIVERSITY OF BRADFORD (GB) 2011-09-13 US disclosed
EP-0680964-B1 PYRROLO [3,2-e]INDOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND THEIR USE UNIV SANTIAGO COMPOSTELA (ES) 2002-01-16 EP disclosed
US-6130237-A Condensed N-aclyindoles as antitumor agents CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2000-10-10 US disclosed
EP-0680964-A1 NEW PIRROLO 3,2-e]INDOL DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND APPLICATIONS UNIVERSIDAD DE SANTIAGO DE COMPOSTELA (ES) 1995-11-08 EP disclosed
WO-1995014022-A1 NEW PIRROLO [3,2-e]INDOL DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND APPLICATIONS UNIVERSIDAD DE SANTIAGO DE COMPOSTELA (ES) 1995-05-26 WO disclosed
US-4916217-A Phosphorus containing derivatives of epipodophyllotoxin BRISTOL-MYERS COMPANY (US) 1990-04-10 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-20050193504-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, KRTCAP2 AHR 988/4885PARP1 1932/4885RHEB 4084/4885

“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.