SCHEMBL4948396

SCHEMBL4948396

O=C(c1nccs1)c1c[nH]c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.61
MAPT P10636 2/20 0.61
ALDH1A1 P00352 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
NPC1 O15118 1/20 0.61
RAB9A P51151 1/20 0.61
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
AHR P35869 3/20 0.54
NR1I2 O75469 1/20 0.54
PBRM1 Q86U86 1/20 0.50
ATM Q13315 1/20 0.50
GLA P06280 1/20 0.49
PIM1 P11309 1/20 0.49
CTNNB1 P35222 1/20 0.48
WNT3A P56704 1/20 0.48
TP53 P04637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MAPK1 P28482 1/20 0.47
NR4A2 P43354 1/20 0.47

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
SCHEMBL21366075 0.82 MAPT (0.58) GPR84MAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL2028344 0.78 GPR84 (1.00) GPR84ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL21438815 0.77 GPR84 (0.71) GPR84MAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL1606455 0.77 NPC1 (0.79) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL28444915 0.76 GPR84 (0.59) GPR84MAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL11924959 0.76 RAB9A (1.00) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL21366050 0.76 MAPT (0.60) GPR84MAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL22644186 0.75 MEN1 (0.66) GPR84MAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL21547896 0.75 KMT2A (0.70) GPR84MAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL22462583 0.75 MAPT (0.66) GPR84MAPTALDH1A1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116925066-A Indole thiazole ketone compound and application thereof 张所明 2023-10-24 CN disclosed
CN-116925066-A Indole thiazole ketone compound and application thereof 张所明 2023-10-24 CN disclosed
WO-2021127302-A1 2-(1H-INDOLE-3-CARBONYL)-THIAZOLE-4-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS FOR THE TREATMENT OF E.G. ANGIOGENESIS IMPLICATED OR INFLAMMATORY DISORDERS Ikena Oncology, Inc. (US) 2021-06-24 WO disclosed
EP-3191481-B1 EFFICIENT AND SCALABLE SYSTHESIS OF 2-(1'H-INDOLE-3'-CARBONYL)-THIAZOLE-4-CARBOXYLIC ACID METHYL ESTER AND ITS STRUCTURAL ANALOGS ARIAGEN INC (US) 2020-11-25 EP disclosed
US-20190084948-A1 Efficient and scalable synthesis of 2-(1'H-Indole-3'-Carbonyl)-thiazole-4-carboxylic acid methyl ester and its structural analogs ARIAGEN, INC. (US) 2019-03-21 US disclosed
US-10081610-B2 Efficient and scalable synthesis of 2-(1′h-indole-3′-carbonyl)-thiazole-4-carboxylic acid methyl ester and its structural analogs ARIAGEN, INC. (US) 2018-09-25 US disclosed
US-20170291881-A1 EFFICIENT AND SCALABLE SYNTHESIS OF 2-(1'H-INDOLE-3'-CARBONYL)-THIAZOLE-4-CARBOXYLIC ACID METHYL ESTER AND ITS STRUCTURAL ANALOGS AHR PHARMACEUTICALS, INC. (US) 2017-10-12 US disclosed
CN-107001350-A Effective and expansible synthesis of the carboxylate methyl ester of 2 (carbonyl of 1 ' H indoles 3 ') thiazole 4 and its analogue AHR制药股份公司 2017-08-01 CN disclosed
EP-3191481-A1 EFFICIENT AND SCALABLE SYSTHESIS OF 2-(1'H-INDOLE-3'-CARBONYL)-THIAZOLE-4-CARBOXYLIC ACID METHYL ESTER AND ITS STRUCTURAL ANALOGS AHR Pharmaceuticals Inc. (US) 2017-07-19 EP disclosed
CN-106588908-A ITE for cancer intervention and eradication 宋嘉声 2017-04-26 CN disclosed
US-7241900-B2 Synthesis of indole thiazole compounds as ligands for the Ah receptor WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2007-07-10 US disclosed
US-20070043092-A1 Use of aryl hydrocarbon receptor ligand as a therapeutic intervention in angiogenesis-implicated disorders WISCONSIN ALUMNI RESEARCH FOUNDATION 2007-02-22 US disclosed
CN-1915991-A Synthesis of indole thiazole compounds as ligands for the ah receptor WISCONSIN ALUMNI RES FOUND (US) 2007-02-21 CN disclosed
US-20060079692-A1 Synthesis of indole thiazole compounds as ligands for the Ah receptor DELUCA HECTOR F 2006-04-13 US disclosed
EP-1480951-A4 SYNTHESIS OF INDOLE THIAZOLE COMPOUNDS AS LIGANDS FOR THE AH RECEPTOR WISCONSIN ALUMNI RES FOUND (US) 2006-03-22 EP disclosed
US-7002019-B2 Synthesis of indole thiazole compounds as ligands for the Ah receptor WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2006-02-21 US disclosed
CN-1642910-A Synthesis of indole thiazole compounds as ligands for the AH receptor WISCONSIN ALUMNI RES FOUND (US) 2005-07-20 CN disclosed
EP-1480951-A1 SYNTHESIS OF INDOLE THIAZOLE COMPOUNDS AS LIGANDS FOR THE AH RECEPTOR WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2004-12-01 EP disclosed
US-20040204588-A1 Synthesis of indole thiazole compounds as ligands for the Ah receptor WISCONSIN ALUMNI RESEARCH FOUNDATION 2004-10-14 US disclosed
WO-2003068742-A1 SYNTHESIS OF INDOLE THIAZOLE COMPOUNDS AS LIGANDS FOR THE AH RECEPTOR WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2003-08-21 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 (6 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-10081610-B2 Efficient and scalable synthesis of 2-(1′h-indole-3′-carbonyl)-thiazole-4-carboxylic acid methyl ester and its structural analogs INMT, WEE1, WEE2 GPR84 2962/4885MAPT 755/4885ALDH1A1 236/4885
US-20070043092-A1 Use of aryl hydrocarbon receptor ligand as a therapeutic intervention in angiogenesis-implicated disorders VEGFA, NR1H2, ARNT GPR84 282/4885MAPT 4787/4885ALDH1A1 526/4885
US-20060079692-A1 Synthesis of indole thiazole compounds as ligands for the Ah receptor AHR, HCAR1, HCAR2 GPR84 102/4885MAPT 4352/4885ALDH1A1 208/4885
US-20190084948-A1 Efficient and scalable synthesis of 2-(1'H-Indole-3'-Carbonyl)-thiazole-4-carboxylic acid methyl ester and its structural analogs INMT, WEE1, IDO1 GPR84 2961/4885MAPT 701/4885ALDH1A1 153/4885
US-20170291881-A1 EFFICIENT AND SCALABLE SYNTHESIS OF 2-(1'H-INDOLE-3'-CARBONYL)-THIAZOLE-4-CARBOXYLIC ACID METHYL ESTER AND ITS STRUCTURAL ANALOGS INMT, WEE1, HADH GPR84 2989/4885MAPT 766/4885ALDH1A1 234/4885
US-20040204588-A1 Synthesis of indole thiazole compounds as ligands for the Ah receptor AHR, HCAR1, HCAR2 GPR84 102/4885MAPT 4352/4885ALDH1A1 208/4885

“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.