SCHEMBL5336099

SCHEMBL5336099

COC(=O)Cn1ccc2ccccc21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.65
MAPK1 P28482 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.54
KDM4E B2RXH2 2/20 0.54
GAA P10253 1/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
NTSR1 P30989 1/20 0.52
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
CDK4 P11802 1/20 0.52
CCND1 P24385 1/20 0.52
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51
USP2 O75604 1/20 0.51
ATM Q13315 1/20 0.51
POLB P06746 1/20 0.50
TP53 P04637 1/20 0.49

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
SCHEMBL29827118 1.00 KMT2A (0.65) KMT2AMAPK1SMN1; SMN2KDM4EGAA
SCHEMBL2037341 0.84 LMNA (0.65) KMT2AMAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL30379991 0.84 KMT2A (0.61) KMT2AMAPK1KDM4ERAB9AALDH1A1
SCHEMBL3864912 0.84 KMT2A (0.61) KMT2AMAPK1KDM4ERAB9AALDH1A1
SCHEMBL31602400 0.83 KDM4E (0.67) KMT2AMAPK1SMN1; SMN2KDM4ENPC1
SCHEMBL3597779 0.83 KMT2A (0.59) KMT2AMAPK1SMN1; SMN2KDM4ENPC1
SCHEMBL30229742 0.83 KMT2A (0.59) KMT2AMAPK1SMN1; SMN2KDM4ENPC1
SCHEMBL22610155 0.81 CDK4 (0.60) KMT2AMAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL9701534 0.81 KMT2A (0.71) KMT2AMAPK1NTSR1CDK4CCND1
SCHEMBL30074152 0.81 KMT2A (0.71) KMT2AMAPK1NTSR1CDK4CCND1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101157650-B Method for preparation of indole-1-methyl formate and its derivatives UNIV EAST CHINA NORMAL 2011-04-27 CN claimed
US-9174980-B2 Heterocyclic compounds as inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-11-03 US disclosed
US-9174980-B2 Heterocyclic compounds as inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-11-03 US disclosed
EP-1276721-B1 METHYLATION OF INDOLE COMPOUNDS USING DIMETHYL CARBONATE HOFFMANN LA ROCHE (CH) 2013-12-18 EP disclosed
WO-2013116182-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-08 WO disclosed
US-20130196967-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-01 US disclosed
US-20130196967-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-01 US disclosed
CN-101085778-B Preparation method for etodolac SHANDONG XINHUA PHARMACEUTICAL 2010-05-19 CN disclosed
US-7566791-B2 Substituted 3-carbonyl-1h-indol-1yl acetic acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) WYETH (US) 2009-07-28 US disclosed
US-7566791-B2 Substituted 3-carbonyl-1h-indol-1yl acetic acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) WYETH (US) 2009-07-28 US disclosed
US-5962470-A Heterocyclic compounds having anti-diabetic activity and their use SANKYO COMPANY, LIMITED (JP) 1999-10-05 US disclosed
US-5834501-A TREATING DIABETES OR HYPERLIPEMIA SANKYO COMPANY, LIMITED (JP) 1998-11-10 US disclosed
US-5739345-A HYPOGLYCEMIC AND ANTIDIABETIC AGENTS SANKYO COMPANY, LIMITED (JP) 1998-04-14 US disclosed
EP-0539117-B1 Compounds useful as leukotriene antagonists LILLY CO ELI (GB) 1998-03-11 EP disclosed
US-5624935-A ANTIDIABETIC AGENTS, HYPOGLYCEMIC AGENTS OR ANTILIPEMIC AGENTS SANKYO COMPANY, LIMITED 1997-04-29 US disclosed
EP-0676398-A2 Heterocyclic compounds having anti-diabetic activity, their preparation and their use SANKYO COMPANY LIMITED (JP) 1995-10-11 EP disclosed
US-5410061-A Leukotriene antagonist LILLY INDUSTRIES LIMITED (GB) 1995-04-25 US disclosed
EP-0539117-A1 Compounds useful as leukotriene antagonists LILLY INDUSTRIES LIMITED (GB) 1993-04-28 EP disclosed
US-5196541-A PROCESS FOR THE PREPARATION OF SUBSTITUTED 3-AMINOACRYLIC ESTERS BAYER AKTIENGESELLSCHAFT (DE) 1993-03-23 US disclosed
US-5132319-A Antiasthmatic, antiinflammatory, antiallergen and cytoprotective agents MERCK FROSST CANADA, INC. (CA) 1992-07-21 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-20130196967-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF LEUKOTRIENE PRODUCTION LTB4R, LTC4S, LTB4R2 KMT2A 3584/4885MAPK1 2025/4885SMN1; SMN2 4399/4885

“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.