SCHEMBL480290

SCHEMBL480290

CCc1c(CBr)ccnc1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.40
MAPT P10636 2/20 0.40
CYP1A2 P05177 1/20 0.40
ASPH Q12797 8/20 0.39
KDM8 Q8N371 8/20 0.39
ALDH1A1 P00352 4/20 0.37
ALOX15 P16050 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
BLM P54132 1/20 0.37
AGER Q15109 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MYC P01106 1/20 0.34
KMT2A Q03164 1/20 0.34
GAA P10253 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33

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
SCHEMBL868001 0.90 KDM4E (0.44) KDM4EMAPTCYP1A2ASPHKDM8
SCHEMBL8775296 0.77 KDM4E (0.43) KDM4EMAPTCYP1A2ASPHKDM8
SCHEMBL9851952 0.77 KDM4E (0.46) KDM4EMAPTCYP1A2ASPHKDM8
SCHEMBL19857473 0.77 KDM4E (0.55) KDM4EMAPTCYP1A2ASPHKDM8
SCHEMBL3262662 0.77 KMT2A (0.39) KDM4EMAPTCYP1A2ASPHKDM8
SCHEMBL28042315 0.76 KDM4E (0.49) KDM4EMAPTCYP1A2ASPHKDM8
SCHEMBL15538581 0.76 KDM4E (0.41) KDM4EMAPTCYP1A2ASPHKDM8
SCHEMBL18149947 0.76 KDM4E (0.41) KDM4EMAPTCYP1A2ASPHKDM8
SCHEMBL28042290 0.76 NOS3 (0.42) KDM4EMAPTCYP1A2ASPHKDM8
SCHEMBL22890754 0.75 LRRK2 (0.44) KDM4EMAPTCYP1A2ASPHKDM8

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-2411361-B1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-06-18 EP disclosed
US-8138189-B2 Substituted benzene compounds as modulators of the glucocorticoid receptor HOFFMAN-LA ROCHE INC. (US) 2012-03-20 US disclosed
EP-2411361-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2012-02-01 EP disclosed
US-20100249139-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-09-30 US disclosed
WO-2010108902-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-09-30 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-20100249139-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS NR3C1, NR3C2, CRHR1 KDM4E 1499/4885MAPT 2644/4885CYP1A2 209/4885

“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.