SCHEMBL6529928

SCHEMBL6529928

COCCC(Oc1ccc(N)cc1)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.41
MAPK1 P28482 2/20 0.38
ALDH1A1 P00352 4/20 0.37
CYP3A4 P08684 2/20 0.37
TSHR P16473 2/20 0.35
MAOB P27338 4/20 0.34
MAPT P10636 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
HPGD P15428 1/20 0.33
NR4A1 P22736 1/20 0.33
APP P05067 1/20 0.33
TEAD4 Q15561 1/20 0.32
NFE2L2 Q16236 1/20 0.31
POLB P06746 1/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31
OGA O60502 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
SCHEMBL6519698 1.00 TDP1 (0.41) TDP1MAPK1ALDH1A1CYP3A4TSHR
SCHEMBL6521631 0.87 TDP1 (0.41) TDP1MAPK1ALDH1A1CYP3A4TSHR
SCHEMBL6519692 0.81 PARP10 (0.50) ALDH1A1TSHRMAOBMAPT
SCHEMBL6522219 0.80 TDP1 (0.36) TDP1MAPK1ALDH1A1CYP3A4TSHR
SCHEMBL9428488 0.78 SLC2A1 (0.39) TDP1MAPK1ALDH1A1CYP3A4TSHR
SCHEMBL6526621 0.76 APP (0.39) TDP1MAPK1ALDH1A1CYP3A4TSHR
SCHEMBL6521438 0.70 TDP1 (0.46) TDP1MAPK1ALDH1A1CYP3A4TSHR
SCHEMBL11433 0.70 TDP1 (0.43) TDP1MAPK1ALDH1A1CYP3A4TSHR
SCHEMBL11238 0.70 TDP1 (0.43) TDP1MAPK1ALDH1A1CYP3A4TSHR
SCHEMBL10941 0.70 TDP1 (0.43) TDP1MAPK1ALDH1A1CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2475644-B1 HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES HOFFMANN LA ROCHE (CH) 2014-01-08 EP disclosed
US-8258158-B2 HSL inhibitors useful in the treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2012-09-04 US disclosed
US-20110065707-A1 NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES HOFFMANN-LA ROCHE, INC. 2011-03-17 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-20110065707-A1 NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES LIPE, PNLIP, LPL TDP1 3029/4885MAPK1 2575/4885ALDH1A1 721/4885

“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.