SCHEMBL1228003

SCHEMBL1228003

CC1(COCc2ccc(OC(F)(F)F)cc2)CO1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CARM1 Q86X55 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
SLC6A4 P31645 5/20 0.38
KCNH2 Q12809 1/20 0.38
RXRA P19793 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
TACR1 P25103 1/20 0.37
SLC6A3 Q01959 3/20 0.36
GRM2 Q14416 1/20 0.36
CACNA1H O95180 1/20 0.36
AR P10275 2/20 0.36
SCN9A Q15858 1/20 0.36
KDM1A O60341 1/20 0.36
RCOR1 Q9UKL0 1/20 0.36

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
SCHEMBL30947369 0.81 KCNH2 (0.48) ALDH1A1TSHRSLC6A4KCNH2SLC6A3
SCHEMBL22611647 0.80 IDO1 (0.41)
SCHEMBL28780545 0.77 TSHR (0.47) ALDH1A1TSHRCARM1PRMT6SLC6A4
SCHEMBL1227815 0.77 MAOB (0.48) ALDH1A1CYP2C19SLC6A3
SCHEMBL11021009 0.76 TACR1 (0.30) ALDH1A1TSHRTACR1
SCHEMBL754280 0.76 TSHR (0.50) ALDH1A1TSHRTACR1
SCHEMBL3028835 0.75 KCNH2 (0.58) CARM1PRMT6SLC6A4KCNH2SCN9A
SCHEMBL3028831 0.75 KCNH2 (0.58) CARM1PRMT6SLC6A4KCNH2SCN9A
SCHEMBL28124688 0.75 ALDH1A1 (0.42) ALDH1A1TSHRCYP3A4CYP2C9CYP2C19
SCHEMBL15800265 0.74 TSHR (0.50) ALDH1A1TSHRCARM1PRMT6SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2459570-B1 NITROIMIDAZOOXAZINE ANALOGUES AND THEIR USES GLOBAL ALLIANCE FOR TB DRUG DEV (US) 2014-12-24 EP disclosed
US-8293734-B2 Nitroimidazooxazine and nitroimidazooxazole analogues and their uses GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2012-10-23 US disclosed
EP-2459570-A1 NITROIMIDAZOOXAZINE AND NITROIMIDAZOOXAZOLE ANALOGUES AND THEIR USES Global Alliance For Tb Drug Development (US) 2012-06-06 EP disclosed
WO-2011014776-A1 NITROIMIDAZOOXAZINE AND NITROIMIDAZOOXAZOLE ANALOGUES AND THEIR USES GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2011-02-03 WO disclosed
US-20110028466-A1 NITROIMIDAZOOXAZINE AND NITROIMIDAZOOXAZOLE ANALOGUES AND THEIR USES GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2011-02-03 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 (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-20110028466-A1 NITROIMIDAZOOXAZINE AND NITROIMIDAZOOXAZOLE ANALOGUES AND THEIR USES NOX5, NQO2, SIRT5 ALDH1A1 2444/4885TSHR 1938/4885CYP3A4 673/4885

“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.