SCHEMBL2056905

SCHEMBL2056905

Cc1cc2ccc(C(F)(F)F)cc2o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.40
PIM2 Q9P1W9 1/20 0.40
PGR P06401 1/20 0.40
EGFR P00533 1/20 0.39
PDGFRB P09619 1/20 0.39
KDR P35968 1/20 0.39
CYP1A1 P04798 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP1B1 Q16678 1/20 0.37
HRH3 Q9Y5N1 3/20 0.37
BACE1 P56817 1/20 0.37
METAP2 P50579 1/20 0.37
KIF11 P52732 1/20 0.36
NOTUM Q6P988 1/20 0.36
DYRK1A Q13627 1/20 0.35
PTGS2 P35354 1/20 0.35
EPHX2 P34913 1/20 0.34
PIM3 Q86V86 1/20 0.34
ALDH1A1 P00352 1/20 0.34
AKR1B1 P15121 1/20 0.34

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
SCHEMBL29875962 0.85 PIM1 (0.56) PIM1PIM2PGREGFRPDGFRB
SCHEMBL4450085 0.85 PIM1 (0.56) PIM1PIM2PGREGFRPDGFRB
SCHEMBL15430954 0.82 TSHR (0.38) DYRK1AALDH1A1
SCHEMBL21823818 0.77 PIM1 (0.40) PIM1PIM2PGRHRH3BACE1
SCHEMBL2092011 0.77 PIM1 (0.40) PIM1PIM2PGRHRH3BACE1
SCHEMBL2056131 0.77 HRH3 (0.40) PIM1PIM2PGRHRH3BACE1
SCHEMBL8331724 0.75 MIF (0.35) HRH3DYRK1AALDH1A1
SCHEMBL34471243 0.75 PIM1 (0.40) PIM1PIM2PGRHRH3BACE1
SCHEMBL20559521 0.75 PIM1 (0.40) PIM1PIM2PGRHRH3BACE1
SCHEMBL9825730 0.75 PIM1 (0.40) PIM1PIM2PGRHRH3BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108191851-B For treat the drug of colitis with and preparation method thereof 牡丹江医学院 2019-07-23 CN disclosed
CN-108191851-A For treat the drug of colitis with and preparation method thereof 牡丹江医学院 2018-06-22 CN disclosed
EP-2697232-B1 6,7-DIHYDROIMIDAZO[2,1-B][1,3]OXAZINE BACTERICIDES OTSUKA PHARMA CO LTD (JP) 2016-05-18 EP disclosed
US-9051333-B2 6,7-dihydroimidazo [2,1-b] [1,3]oxazine bactericides OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-06-09 US disclosed
US-9051333-B2 6,7-dihydroimidazo [2,1-b] [1,3]oxazine bactericides OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-06-09 US disclosed
US-20140031342-A1 6,7-DIHYDROIMIDAZO [2,1-b] [1,3]OXAZINE BACTERICIDES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-01-30 US disclosed
US-20140031342-A1 6,7-DIHYDROIMIDAZO [2,1-b] [1,3]OXAZINE BACTERICIDES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-01-30 US disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-20110105491-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-05-05 US disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US 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 (2 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-20110105491-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR PIM1 3087/4885PIM2 3361/4885PGR 900/4885
US-20140031342-A1 6,7-DIHYDROIMIDAZO [2,1-b] [1,3]OXAZINE BACTERICIDES BRD1, OXA1L, QDPR PIM1 2239/4885PIM2 2194/4885PGR 4694/4885

“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.