SCHEMBL852379

SCHEMBL852379

CCOC(=O)C#Cc1ccc(C#N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
GSK3B P49841 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
CYP2A6 P11509 2/20 0.41
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
HRH2 P25021 1/20 0.40
HRH1 P35367 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
ELANE P08246 1/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MGLL Q99685 1/20 0.40
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KMT2A Q03164 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
SCHEMBL28747451 0.86 VCP (0.46) RAB9AALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL9935172 0.84 CA12 (0.50) RAB9AALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL853262 0.84 GRM5 (0.53) GSK3BHRH2HRH1FNTAFNTB
SCHEMBL11544791 0.83 ALDH1A1 (0.53) L3MBTL1ALDH1A1
SCHEMBL788820 0.83 APP (0.49) ALDH1A1
SCHEMBL11236951 0.83 LMNA (0.51) RAB9AALDH1A1MAPTHRH3KDM4E
SCHEMBL2433672 0.83 APP (0.45) RAB9AALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL7950 0.83 KMT2A (0.45) L3MBTL1RAB9AALDH1A1MAPTHRH2
SCHEMBL2300644 0.83 ACACB (0.44) L3MBTL1RAB9AALDH1A1MAPTCYP2A6
SCHEMBL1977638 0.83 POLB (0.44) L3MBTL1RAB9AALDH1A1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190218194-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. 2019-07-18 US disclosed
US-20190218194-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. 2019-07-18 US disclosed
EP-3363434-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme Inc (US) 2018-08-22 EP disclosed
EP-2970131-B1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF EPIZYME INC (US) 2017-11-15 EP disclosed
EP-2970131-B1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF EPIZYME INC (US) 2017-11-15 EP disclosed
US-20170088529-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-03-30 US disclosed
US-20170088529-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-03-30 US disclosed
US-9365527-B2 Arginine methyltransferase inhibitors and uses thereof Epizyme, Inc. (US) 2016-06-14 US disclosed
US-9365527-B2 Arginine methyltransferase inhibitors and uses thereof Epizyme, Inc. (US) 2016-06-14 US disclosed
US-20160031839-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2016-02-04 US disclosed
EP-1425010-B1 SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS ORTHO MCNEIL PHARM INC (US) 2011-10-26 EP disclosed
EP-1425010-A4 SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS ORTHO MCNEIL PHARM INC (US) 2009-07-29 EP disclosed
US-20070219233-A1 Antitumor, antiinflammatory, antiarthritic agents, treating metastasis, restenosis, osteoporosis, macular degeneration, and diabetic retinopathy; 7-(2-{1-[1-(3-Benzyloxy-phenyl)-2-ethoxycarbonyl-vinyl]-1H-indol-5-yloxy}-ethyl)-3,4-dihydro-2H-[1,8]naphthyridine-1-carboxylic acid tert-butyl ester LU TIANBO 2007-09-20 US disclosed
US-7241789-B2 Substituted indoles and their use as integrin antagonists 3-DIMENSIONAL PHARMACEUTICAL, INC. (US) 2007-07-10 US disclosed
US-20050250771-A1 Substituted indoles and their use as integrin antagonists 3-DIMENSIONAL PHARMACEUTICALS, INC. 2005-11-10 US disclosed
US-20050209225-A1 Substituted indoles and their use as integrin antagonists 3-DIMENSIONAL PHARMACEUTICALS, INC. 2005-09-22 US disclosed
US-6855722-B2 Substituted indoles and their use as integrin antagonists DIMENSIONAL PHARMACEUTICALS, INC. (US) 2005-02-15 US disclosed
EP-1425010-A1 SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS Ortho-McNeil Pharmaceutical, Inc. (US) 2004-06-09 EP disclosed
US-20020169200-A1 Substituted indoles and their use as integrin antagonists 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-11-14 US disclosed
WO-2002060438-A1 SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2002-08-08 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 (7 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-20070219233-A1 Antitumor, antiinflammatory, antiarthritic agents, treating metastasis, restenosis, osteoporosis, macular degeneration, and diabetic retinopathy; 7-(2-{1-[1-(3-Benzyloxy-phenyl)-2-ethoxycarbonyl-vinyl]-1H-indol-5-yloxy}-ethyl)-3,4-dihydro-2H-[1,8]naphthyridine-1-carboxylic acid tert-butyl ester ITGA5, ADGRE5, ITGAV L3MBTL1 3753/4885GSK3B 792/4885RAB9A 392/4885
US-20050209225-A1 Substituted indoles and their use as integrin antagonists ITGAV, ITGA5, ITGB5 L3MBTL1 3467/4885GSK3B 146/4885RAB9A 919/4885
US-20020169200-A1 Substituted indoles and their use as integrin antagonists ITGAV, ITGAL, ITGA5 L3MBTL1 3165/4885GSK3B 181/4885RAB9A 758/4885
US-20050250771-A1 Substituted indoles and their use as integrin antagonists ITGAV, ITGA5, ITGB5 L3MBTL1 3429/4885GSK3B 154/4885RAB9A 880/4885
US-20160031839-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 L3MBTL1 793/4885GSK3B 1024/4885RAB9A 1408/4885
US-20190218194-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 L3MBTL1 793/4885GSK3B 1024/4885RAB9A 1408/4885
US-20170088529-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 L3MBTL1 793/4885GSK3B 1024/4885RAB9A 1408/4885

“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.