SCHEMBL2091869

SCHEMBL2091869

[CH2]CCCCC(c1ccccc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 6/20 0.58
HTR2A P28223 6/20 0.58
SIGMAR1 Q99720 4/20 0.53
CYP19A1 P11511 4/20 0.44
TAAR1 Q96RJ0 1/20 0.42
KCNH2 Q12809 1/20 0.41
TBXAS1 P24557 1/20 0.41

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
SCHEMBL3389409 0.98 HRH1 (0.56) HRH1HTR2ASIGMAR1CYP19A1TAAR1
SCHEMBL3389109 0.98 HRH1 (0.56) HRH1HTR2ASIGMAR1CYP19A1TAAR1
SCHEMBL2096612 0.93 HRH1 (0.60) HRH1HTR2ASIGMAR1CYP19A1TAAR1
SCHEMBL9073997 0.87 HRH1 (0.71) HRH1HTR2ASIGMAR1CYP19A1TAAR1
SCHEMBL270397 0.82 HRH1 (0.56) HRH1HTR2ASIGMAR1TAAR1KCNH2
SCHEMBL130221 0.82 RIPK1 (0.52)
SCHEMBL8847370 0.82 HRH1 (0.39) HRH1HTR2ASIGMAR1CYP19A1TAAR1
SCHEMBL8847425 0.82 HRH1 (0.39) HRH1HTR2ASIGMAR1CYP19A1TAAR1
SCHEMBL11234621 0.80 RIPK1 (0.50)
SCHEMBL8157930 0.80 HRH1 (0.38) HRH1HTR2ASIGMAR1CYP19A1TAAR1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003106445-A1 COMPOUNDS AND METHODS FOR CONTROLLING BACTERIAL VIRULENCE QSI PHARMA A/S (DK) 2003-12-24 WO claimed
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
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
WO-2003106445-A1 COMPOUNDS AND METHODS FOR CONTROLLING BACTERIAL VIRULENCE QSI PHARMA A/S (DK) 2003-12-24 WO disclosed
EP-0625507-B1 Urea derivatives and their use as acat inhibitors NISSHIN FLOUR MILLING CO (JP) 1997-07-23 EP disclosed
US-5621010-A ANTIHYPERCHOLESTEROLEMIA AND ANTIATHEROSCLEROSIS NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-04-15 US disclosed
EP-0625507-A2 Urea derivatives and their use as acat inhibitors NISSHIN FLOUR MILLING CO., LTD. (JP) 1994-11-23 EP disclosed
US-5306719-A Cardiotonic agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-04-26 US disclosed
EP-0255134-B1 CARBOSTYRIL DERIVATIVES AND SALTS THEREOF, PROCESS FOR PREPARING THEM, AND CARDIOTONIC COMPOSITION CONTAINING SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-03-03 EP disclosed
US-5071856-A CARBOSTYRIL DERIVATIVES AND SALTS THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-12-10 US disclosed
US-4886809-A CARDIOTONIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-12-12 US disclosed
EP-0255134-A2 Carbostyril derivatives and salts thereof, process for preparing them, and cardiotonic composition containing same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-02-03 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 (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-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 HRH1 501/4885HTR2A 3100/4885SIGMAR1 161/4885

“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.