SCHEMBL586178

SCHEMBL586178

CC1(C)OB(c2ccc(CCN3CCOCC3)cc2)OC1(C)C

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LPL P06858 7/20 0.56
LIPG Q9Y5X9 7/20 0.56
SIGMAR1 Q99720 4/20 0.49
POLB P06746 1/20 0.44
L3MBTL3 Q96JM7 1/20 0.44
F11 P03951 2/20 0.43
ESR2 Q92731 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
F2 P00734 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39

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
Hydrochloric Acid SCHEMBL27248303 0.99 LPL (0.55) LPLLIPGSIGMAR1POLBL3MBTL3
SCHEMBL426570 0.92 LPL (0.57) LPLLIPGSIGMAR1POLBF11
SCHEMBL17403015 0.91 LPL (0.59) LPLLIPGSIGMAR1POLBF11
SCHEMBL1354431 0.88 LPL (0.59) LPLLIPGSIGMAR1L3MBTL3F11
SCHEMBL28329043 0.87 LPL (0.58) LPLLIPGSIGMAR1F11ESR2
SCHEMBL28327797 0.87 LPL (0.58) LPLLIPGSIGMAR1L3MBTL3F11
SCHEMBL5256283 0.86 LPL (0.60) LPLLIPGSIGMAR1F11ESR2
SCHEMBL146568 0.85 HRH3 (0.56) LPLLIPGF11ESR2HRH3
SCHEMBL20745737 0.84 HRH3 (0.54) LPLLIPGF11ESR2HRH3
Hydrochloric Acid SCHEMBL5334250 0.84 HRH3 (0.54) LPLLIPGF11ESR2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250304576-A1 IKK INHIBITORS CANCER RESEARCH TECH LTD (GB) 2025-10-02 US disclosed
EP-4522597-A1 IKK INHIBITORS Cancer Research Technology Limited (GB) 2025-03-19 EP disclosed
WO-2023218201-A1 IKK INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2023-11-16 WO disclosed
CN-110506044-B BRD4 inhibitor and preparation and application thereof 中国科学院上海药物研究所 2022-07-05 CN disclosed
CN-110506044-A A kind of BRD4 inhibitor and its preparation and application SHANGHAI INST MATERIA MEDICA CAS 2019-11-26 CN disclosed
US-RE47731-E1 Kinase inhibitors and method of treating cancer with same UNIV HEALTH NETWORK (CA) 2019-11-19 US disclosed
US-10358436-B2 Kinase inhibitors and method of treating cancer UNIVERSITY HEALTH NETWORK (CA) 2019-07-23 US disclosed
US-20180282306-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER UNIVERSITY HEALTH NETWORK (CA) 2018-10-04 US disclosed
EP-2766352-B1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIV HEALTH NETWORK UHN (CA) 2018-06-06 EP disclosed
US-9907800-B2 Kinase inhibitors and method of treating cancer UNIVERSITY HEALTH NETWORK (CA) 2018-03-06 US disclosed
US-20080176848-A1 e.g. N-Hydroxy-3-{1-[4-(1-methyl-1H-indol-5-yl)-benzenesulfonyl]-1H-pyrrol-3-yl}-acrylamide; antiproliferative, anticarcinogenic, antiinflammatory, neuroleptic agent, autoimmune disorders NYCOMED GMBH (DE) 2008-07-24 US disclosed
EP-1861365-A1 N-SULPHONYLPYRROLES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS Nycomed GmbH (DE) 2007-12-05 EP disclosed
EP-1268431-B1 3-CYANOQUINOLINES,3-CYANO-1,6-NAPHTHYRIDINES, AND 3-CYANO-1,7-NAPHTHYRIDINES AS PROTEIN KINASE INHIBITORS WYETH CORP (US) 2007-08-29 EP disclosed
WO-2006097474-A1 N-SULPHONYLPYRROLES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS NYCOMED GMBH (DE) 2006-09-21 WO disclosed
US-20040176602-A1 3-Cyanoquinolines,3-cyano-1,6-naphthyridines, and 3-cyano-1,7-naphthyridines as protein kinase inhibitors WYETH 2004-09-09 US disclosed
US-6689772-B1 ANTINEOPLASTIC AGENTS; OSTEOPOROSIS; POLYCYSTIC KIDNEY DISEASE; ANTIVIRAL AGENTS WYETH 2004-02-10 US disclosed
US-6521618-B2 Antineoplastic agents, agents for treatment of osteoporosis and polycystic kidney disease WYETH 2003-02-18 US disclosed
EP-1268431-A1 3-CYANOQUINOLINES,3-CYANO-1,6-NAPHTHYRIDINES, AND 3-CYANO-1,7-NAPHTHYRIDINES AS PROTEIN KINASE INHIBITORS Wyeth (US) 2003-01-02 EP disclosed
US-20020026052-A1 3-cyanoquinolines, 3-cyano-1,6-naphthyridines, and 3-cyano-1,7-naphthyridines as protein kinase inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 2002-02-28 US disclosed
WO-2001072711-A1 3-CYANOQUINOLINES,3-CYANO-1,6-NAPHTHYRIDINES, AND 3-CYANO-1,7-NAPHTHYRIDINES AS PROTEIN KINASE INHIBITORS WYETH (US) 2001-10-04 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-20040176602-A1 3-Cyanoquinolines,3-cyano-1,6-naphthyridines, and 3-cyano-1,7-naphthyridines as protein kinase inhibitors PKD1, PKD2, CSNK1A1 LPL 4777/4885LIPG 3829/4885SIGMAR1 1773/4885
US-20250304576-A1 IKK INHIBITORS NFKBIA, IKBKE, IKBKB LPL 3998/4885LIPG 3186/4885SIGMAR1 3594/4885
US-20080176848-A1 e.g. N-Hydroxy-3-{1-[4-(1-methyl-1H-indol-5-yl)-benzenesulfonyl]-1H-pyrrol-3-yl}-acrylamide; antiproliferative, anticarcinogenic, antiinflammatory, neuroleptic agent, autoimmune disorders HDAC1, H1-3, HDAC2 LPL 3750/4885LIPG 3765/4885SIGMAR1 622/4885
US-10358436-B2 Kinase inhibitors and method of treating cancer MAP3K6, MAP3K5, MAP3K19 LPL 4279/4885LIPG 3164/4885SIGMAR1 3466/4885
US-20180282306-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER MAP3K6, MAP3K5, MAP3K19 LPL 4279/4885LIPG 3164/4885SIGMAR1 3466/4885
US-20020026052-A1 3-cyanoquinolines, 3-cyano-1,6-naphthyridines, and 3-cyano-1,7-naphthyridines as protein kinase inhibitors PKD1, PKD2, CSNK1A1 LPL 4777/4885LIPG 3829/4885SIGMAR1 1773/4885

“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.