SCHEMBL19679352

SCHEMBL19679352

Cc1cc(Cl)cc2c1C(=O)NCCO2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP6 P51161 1/20 0.42
ALDH1A1 P00352 3/20 0.40
GAA P10253 3/20 0.40
HSD17B10 Q99714 3/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 2/20 0.40
GLA P06280 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
ATM Q13315 1/20 0.40
MAPT P10636 1/20 0.39
MAP3K14 Q99558 1/20 0.39
CES1 P23141 1/20 0.36
HSP90AA1 P07900 1/20 0.34
ROS1 P08922 3/20 0.34
ALK Q9UM73 2/20 0.34
NTRK1 P04629 2/20 0.33
F7 P08709 1/20 0.32
PARP1 P09874 1/20 0.32
F3 P13726 1/20 0.32

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
SCHEMBL19679348 0.83 FABP6 (0.41) FABP6ALDH1A1GAAHSD17B10KDM4E
SCHEMBL15525854 0.81 FABP6 (0.49) FABP6ALDH1A1GAAHSD17B10KDM4E
SCHEMBL19679353 0.81 FABP6 (0.42) FABP6ALDH1A1GAAHSD17B10KDM4E
SCHEMBL13801972 0.75 FABP6 (0.43) FABP6ALDH1A1GAAHSD17B10KDM4E
SCHEMBL19684895 0.74 FABP6 (0.35) FABP6KDM4EGLAATMMAPT
SCHEMBL15525841 0.72 FABP6 (0.54) FABP6KDM4EMAP3K14CES1F7
SCHEMBL15830752 0.72 FABP6 (0.46) FABP6ALDH1A1GAAHSD17B10KDM4E
SCHEMBL13092730 0.71 FABP6 (0.57) FABP6ALDH1A1GAAHSD17B10KDM4E
SCHEMBL20778164 0.70 FABP6 (0.48) FABP6ALDH1A1GAAHSD17B10KDM4E
SCHEMBL19684894 0.69 GRM5 (0.43) ALDH1A1KDM4EHPGDJAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170348313-A1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER INC. (US) 2017-12-07 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-20170348313-A1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS DUT, NCL, TYMP FABP6 3697/4885ALDH1A1 2669/4885GAA 297/4885

“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.