SCHEMBL2092476

SCHEMBL2092476

C[CH]C#Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.55
NPC1 O15118 3/20 0.43
RAB9A P51151 2/20 0.43
MTOR P42345 1/20 0.43
MAPT P10636 2/20 0.42
KCNH2 Q12809 1/20 0.41
CYP1A2 P05177 4/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
THPO P40225 2/20 0.41
GRM5 P41594 4/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1B1 Q16678 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HTR2A P28223 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38

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
SCHEMBL5507858 0.78 APP (0.61) APPNPC1RAB9AMTORMAPT
SCHEMBL9146168 0.78 APP (0.61) APPNPC1RAB9AMTORMAPT
SCHEMBL5507856 0.78 APP (0.61) APPNPC1RAB9AMTORMAPT
SCHEMBL3821137 0.75 APP (0.50) APPNPC1RAB9AMTORMAPT
SCHEMBL25367784 0.75 KCNH2 (0.44) KCNH2GRM5HSD17B10
SCHEMBL840229 0.74 APP (0.55) APPNPC1RAB9AMTORMAPT
SCHEMBL136424 0.74 APP (0.55) APPNPC1RAB9AMTORMAPT
SCHEMBL8696089 0.74 APP (0.55) APPNPC1RAB9AMTORMAPT
SCHEMBL6234793 0.74 APP (0.55) APPNPC1RAB9AMTORMAPT
SCHEMBL6244468 0.74 APP (0.55) APPNPC1RAB9AMTORMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0161877-B1 1,4-DIHYDROPYRIDINE DERIVATIVES, METHODS FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME FUJIREBIO KABUSHIKI KAISHA also trading as FUJIREBIO INC. (JP) 1991-05-29 EP claimed
EP-3098226-B1 BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR FUJIFILM WAKO PURE CHEMICAL CORP (JP) 2018-12-12 EP disclosed
US-10100070-B2 Borate-based base generator, and base-reactive composition comprising such base generator FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2018-10-16 US disclosed
EP-3098226-A1 BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR Wako Pure Chemical Industries, Ltd. (JP) 2016-11-30 EP disclosed
US-20160340374-A1 BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2016-11-24 US disclosed
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 US disclosed
CN-101489555-A Nf-kappa OTSUKA PHARMA CO LTD (JP) 2009-07-22 CN disclosed
CN-100497345-C 2, 3-dihydro-6-nitroimidazolo [2,1-b] oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2009-06-10 CN disclosed
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 EP disclosed
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis OTSUKA PHAMACEUTICAL CO., LTD. (JP) 2008-05-22 US disclosed
EP-0387196-B1 Complexes with optically active ligands, process for their preparation and their use CIBA GEIGY AG (CH) 1995-05-03 EP disclosed
EP-0254685-B1 Complexes with optically active sugar ligands, process for their preparation and their use CIBA GEIGY AG (CH) 1994-04-13 EP disclosed
US-5047557-A Complexes having optically active ligands, a process for their preparation and their use CIBA-GEIGY CORPORATION (US) 1991-09-10 US disclosed
EP-0161877-B1 1,4-DIHYDROPYRIDINE DERIVATIVES, METHODS FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME FUJIREBIO KABUSHIKI KAISHA also trading as FUJIREBIO INC. (JP) 1991-05-29 EP disclosed
EP-0387196-A1 Complexes with optically active ligands, process for their preparation and their use CIBA-GEIGY AG (CH) 1990-09-12 EP disclosed
US-4914196-A CHIRAL REACTANTS FOR ALDEHYDES, KETONES, N-SUBSTITUTED IMINES CIBA-GEIGY CORPORATION (US) 1990-04-03 US disclosed
US-4845100-A WITH HYPOTENSIVE AND ANTIINFLAMMATORY ACTIVITY OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-07-04 US disclosed
US-4826965-A Metal complexes containing optically active sugar ligands, a process for their preparation and their use as chiral reactants for synthesis of alcohols and amines CIBA-GEIGY CORPORATION (US) 1989-05-02 US disclosed
EP-0254685-A2 Complexes with optically active sugar ligands, process for their preparation and their use CIBA-GEIGY AG (CH) 1988-01-27 EP disclosed
EP-0202760-A2 Carbostyril derivatives and salts thereof, processes for preparing the same and cardiotonic composition containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-11-26 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 (3 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-10100070-B2 Borate-based base generator, and base-reactive composition comprising such base generator BLM, HPRT1, BROX APP 2287/4885NPC1 3908/4885RAB9A 579/4885
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 APP 4602/4885NPC1 3130/4885RAB9A 3153/4885
US-20160340374-A1 BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR ENPP3, GNG2, ENPP1 APP 3912/4885NPC1 4267/4885RAB9A 1718/4885

“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.