SCHEMBL14797110

SCHEMBL14797110

O=C(O)CCN1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.66
▸ TSHR P16473 1/20 0.62
▸ LSS P48449 1/20 0.55
▸ ACHE P22303 3/20 0.50
▸ BCHE P06276 2/20 0.50
▸ BACE1 P56817 2/20 0.50
▸ NAMPT P43490 1/20 0.49
▸ DRD2 P14416 1/20 0.49
▸ DRD4 P21917 1/20 0.49
▸ PPARD Q03181 1/20 0.49
▸ PPARA Q07869 1/20 0.49
▸ LMNA P02545 3/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ TEAD1 P28347 1/20 0.48
▸ CHRM4 P08173 1/20 0.47
▸ CHRM2 P08172 1/20 0.47
▸ CHRM1 P11229 1/20 0.47
▸ KCNA5 P22460 1/20 0.46
▸ EPHX2 P34913 1/20 0.46
▸ KMT2A Q03164 1/20 0.46

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
SCHEMBL14797078 0.91 ALDH1A1 (0.61) ALDH1A1TSHRLSSACHEBCHE
SCHEMBL14797052 0.89 ALDH1A1 (0.66) ALDH1A1TSHRLSSACHEBCHE
SCHEMBL27610560 0.83 ALDH1A1 (0.65) ALDH1A1TSHRLSSACHEBCHE
Hydrochloric Acid SCHEMBL5358643 0.83 EGFR (0.57) ALDH1A1TSHRLSSACHEBCHE
SCHEMBL5542731 0.81 ALDH1A1 (0.65) ALDH1A1TSHRLSSACHEBCHE
SCHEMBL11888824 0.80 ALDH1A1 (0.57) ALDH1A1TSHRLSSACHEBCHE
SCHEMBL2056136 0.80 ALDH1A1 (1.00) ALDH1A1TSHRLSSACHEBCHE
SCHEMBL22516896 0.80 ALDH1A1 (0.68) ALDH1A1TSHRLSSNAMPTDRD2
SCHEMBL14795284 0.79 EPHX2 (0.51) ALDH1A1LMNASMN1; SMN2EPHX2
SCHEMBL22639905 0.78 SIGMAR1 (0.61) ALDH1A1DRD2DRD4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2573090-B1 (6,7-DIHYDRO-2-NITRO-5H-IMIDAZOL[2,1-B][1,3]OXAZIN-6-YL) AMIDE COMPOUNDS, PREPARATION METHODS AND USES THEREOF SHANGHAI SUN SAIL PHARMACEUTICAL SCIENCE & TECHNOLOGY CO LTD (CN) 2014-12-10 — — EP disclosed
US-8563547-B2 (6,7-dihydro-2-nitro-5H-imidazol[2,1-b][1,3]oxazin-6-yl) amide compounds, preparation methods and uses thereof SHANGHAI SUN-SAIL PHARMACEUTICAL SCIENCE & TECHNOLOGY CO., LTD. (CN) 2013-10-22 — — US disclosed
US-20130143864-A1 (6,7-DIHYDRO-2-NITRO-5H-IMIDAZOL[2,1-B][1,3]OXAZIN-6YL) AMIDE COMPOUNDS, PREPARATION METHODS AND USES THEREOF NANJING CHANGAO PHARMACEUTICAL SCIENCE & TECHNOLOGY CO., LTD. (CN) 2013-06-06 — — US disclosed
EP-2573090-A1 (6,7-DIHYDRO-2-NITRO-5H-IMIDAZOL[2,1-B][1,3]OXAZIN-6-YL) AMIDE COMPOUNDS, PREPARATION METHODS AND USES THEREOF Shanghai Sun-Sail Pharmaceutical Science & Technology Co., Ltd (CN) 2013-03-27 — — 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 (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-20130143864-A1 (6,7-DIHYDRO-2-NITRO-5H-IMIDAZOL[2,1-B][1,3]OXAZIN-6YL) AMIDE COMPOUNDS, PREPARATION METHODS AND USES THEREOF MT-ND6, SLC11A2, NDUFB7 ALDH1A1 238/4885TSHR 2931/4885LSS 120/4885

“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.

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