SCHEMBL457158

SCHEMBL457158

O=C/C=C/c1cccnc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.61
CYP11B2 P19099 1/20 0.61
RAB9A P51151 3/20 0.58
MAPT P10636 3/20 0.58
NPC1 O15118 2/20 0.58
MAPK1 P28482 2/20 0.58
KDM4E B2RXH2 2/20 0.58
JUN P05412 1/20 0.58
NFKB1 P19838 1/20 0.58
GPR55 Q9Y2T6 1/20 0.58
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
LMNA P02545 2/20 0.56
ALDH1A1 P00352 2/20 0.56
ALOX5 P09917 2/20 0.56
TRPA1 O75762 1/20 0.56
VCP P55072 1/20 0.55
PFKFB3 Q16875 1/20 0.50
PTGS1 P23219 1/20 0.47
PTGS2 P35354 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
SCHEMBL29881470 1.00 CYP11B1 (0.61) CYP11B1CYP11B2RAB9AMAPTNPC1
SCHEMBL457159 1.00 CYP11B1 (0.61) CYP11B1CYP11B2RAB9AMAPTNPC1
SCHEMBL6249186 0.92 CYP11B1 (0.57) CYP11B1CYP11B2RAB9AMAPTNPC1
SCHEMBL27626846 0.92 CYP11B1 (0.57) CYP11B1CYP11B2RAB9AMAPTNPC1
SCHEMBL29691639 0.82 CYP11B1 (0.86) CYP11B1CYP11B2RAB9AMAPTNPC1
SCHEMBL29691623 0.82 CYP11B1 (0.86) CYP11B1CYP11B2RAB9AMAPTNPC1
SCHEMBL6655801 0.81 MKNK1 (0.49) CYP11B1CYP11B2MAPK1MEN1LMNA
SCHEMBL6655803 0.81 MKNK1 (0.49) CYP11B1CYP11B2MAPK1MEN1LMNA
SCHEMBL29691514 0.80 CYP11B1 (0.82) CYP11B1CYP11B2RAB9AMAPTNPC1
SCHEMBL29691548 0.80 CYP11B1 (0.82) CYP11B1CYP11B2RAB9AMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200095698-A1 ELECTROLYTIC TIN PLATING SOLUTION C. UYEMURA & CO., LTD. (JP) 2020-03-26 US claimed
JP-7233149-A None JP disclosed
US-20230265094-A1 RIPK1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2023-08-24 US disclosed
US-20230265094-A1 RIPK1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2023-08-24 US disclosed
US-20230265094-A1 RIPK1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2023-08-24 US disclosed
US-20230120185-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-04-20 US disclosed
EP-4164654-A1 RIPK1 INHIBITORS AND METHODS OF USE Merck Sharp & Dohme LLC (US) 2023-04-19 EP disclosed
US-11485710-B2 Heterocyclic amides as kinase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-11-01 US disclosed
US-11485710-B2 Heterocyclic amides as kinase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-11-01 US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-20010031768-A1 Triazole antifungal agent SANKYO COMPANY LIMITED (JP) 2001-10-18 US disclosed
EP-0841327-B1 TRIAZOLE ANTIFUNGAL AGENT SANKYO CO (JP) 2001-10-04 EP disclosed
US-5977152-A Triazole antifungal agent SANKYO COMPANY, LIMITED (JP) 1999-11-02 US disclosed
CN-1187191-A Triazole antifungal agents SANKYO CO (JP) 1998-07-08 CN disclosed
EP-0841327-A1 TRIAZOLE ANTIFUNGAL AGENT SANKYO COMPANY LIMITED (JP) 1998-05-13 EP disclosed
JP-H07233149-A CHLOROBENZENESULFONYLAMIDO(3-PYRIDYL) ALKYLPHENYLPROPIONIC ACID DERIVATIVE TERUMO CORP 1995-09-05 JP disclosed
EP-0347766-B1 4,5,7,8-Tetrahydro-6H-thiazolo[5,4-d]azepines, their preparation and their use as medicaments THOMAE GMBH DR K (DE) 1994-05-25 EP disclosed
WO-1992005148-A1 IMIDAZOL DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR APPLICATIONS RHONE-POULENC RORER LIMITED (GB) 1992-04-02 WO disclosed
US-5068325-A Dopaminergic systems as hypotensives, sedatives, antitussives and/or antiphlogistics KARL THOMAE GMBH (DE) 1991-11-26 US disclosed
EP-0347766-A2 4,5,7,8-Tetrahydro-6H-thiazolo[5,4-d]azepines, their preparation and their use as medicaments Dr. Karl Thomae GmbH (DE) 1989-12-27 EP 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 (4 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-20010031768-A1 Triazole antifungal agent ERG28, RIF1, NAT1 CYP11B1 232/4885CYP11B2 251/4885RAB9A 1269/4885
US-20230120185-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS MAP3K19, MAP3K20, MAP3K1 CYP11B1 3368/4885CYP11B2 3593/4885RAB9A 1211/4885
US-11485710-B2 Heterocyclic amides as kinase inhibitors MAP3K19, MAP3K20, MAP3K1 CYP11B1 3368/4885CYP11B2 3593/4885RAB9A 1211/4885
US-20230265094-A1 RIPK1 INHIBITORS AND METHODS OF USE RIPK1, RIPK2, RIPK3 CYP11B1 2305/4885CYP11B2 2740/4885RAB9A 873/4885

“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.