SCHEMBL2056249

SCHEMBL2056249

Cc1c(F)ccc2occc12

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.38
MAOA P21397 4/20 0.36
MAOB P27338 4/20 0.36
NFKB1 P19838 1/20 0.36
HTR2A P28223 6/20 0.34
HTR2C P28335 6/20 0.34
HTR2B P41595 4/20 0.34
PAX8 Q06710 1/20 0.33
FTO Q9C0B1 1/20 0.33
DRD1 P21728 2/20 0.32
EED O75530 1/20 0.31
SUZ12 Q15022 1/20 0.31
EZH2 Q15910 1/20 0.31

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
SCHEMBL2585106 0.77 MAOA (0.38) TRPA1MAOAMAOBNFKB1HTR2A
SCHEMBL8404363 0.77 MAOA (0.38) MAOAMAOBNFKB1HTR2AHTR2C
SCHEMBL6949814 0.74 MAOA (0.38) MAOAMAOBNFKB1HTR2AHTR2C
SCHEMBL3173028 0.74 MAOA (0.40) MAOAMAOBNFKB1HTR2AHTR2C
SCHEMBL2269866 0.74 KDM4E (0.47) MAOAMAOBNFKB1HTR2AHTR2C
SCHEMBL24036411 0.74 MAOA (0.36) TRPA1MAOAMAOBNFKB1HTR2A
SCHEMBL18876065 0.74 MAOA (0.36) TRPA1MAOAMAOBNFKB1HTR2A
SCHEMBL5986568 0.74 MAOA (0.36) TRPA1MAOAMAOBNFKB1HTR2A
SCHEMBL29473759 0.74 CYP2A6 (0.39) TRPA1MAOAMAOBNFKB1HTR2A
SCHEMBL17841499 0.74 CYP2A6 (0.39) TRPA1MAOAMAOBNFKB1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021195183-A1 COMPOSITIONS AND METHODS FOR INHIBITING PROTEIN EMBRYONIC ECTODERM DEVELOPMENT ACTIVITY AND TREATING DISEASE EXO THERAPEUTICS, INC. (US) 2021-09-30 WO 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
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-0901483-B1 BENZOFURANS AND BENZOPYRANS AS CHRONOBIOLOGICAL AGENTS GLAXO GROUP LTD (GB) 2003-07-09 EP disclosed
US-5981572-A Benzofurans and benzopyrans as chronobiological agents GLAXO WELLCOME INC. (US) 1999-11-09 US disclosed
EP-0901483-A2 BENZOFURANS AND BENZOPYRANS AS CHRONOBIOLOGICAL AGENTS GLAXO GROUP LIMITED (GB) 1999-03-17 EP disclosed
WO-1997043272-A2 BENZOFURANS AND BENZOPYRANS AS CHRONOBIOLOGICAL AGENTS GLAXO GROUP LIMITED (GB) 1997-11-20 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 (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 TRPA1 2870/4885MAOA 2692/4885MAOB 1654/4885

“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.