SCHEMBL1752504

SCHEMBL1752504

CCOC(=O)c1ncc(CCl)o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
MAPK1 P28482 2/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
XBP1 P17861 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TLR9 Q9NR96 1/20 0.40
CDC7 O00311 1/20 0.38
DBF4 Q9UBU7 1/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38

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
SCHEMBL23011570 0.87 MAPK1 (0.41) ALDH1A1MAPK1NPC1TP53MAPT
SCHEMBL1935994 0.84 PLK1 (0.40) ALDH1A1MAPK1NPC1TP53MAPT
SCHEMBL15932340 0.81 TDP1 (0.40) NPC1CDC7DBF4GABRPGABRD
SCHEMBL26910765 0.80 ALDH1A1 (0.44) ALDH1A1MAPK1NPC1TP53MAPT
SCHEMBL1934223 0.80 FAAH (0.42) ALDH1A1MAPK1NPC1TP53MAPT
SCHEMBL20020154 0.79 KDM4E (0.41) KDM4E
SCHEMBL553924 0.78 KLKB1 (0.48) ALDH1A1NPSR1HSD17B10CDC7DBF4
SCHEMBL13545976 0.77 CA1 (0.42) ALDH1A1MAPK1NPC1TP53MAPT
SCHEMBL15551494 0.76 LMNA (0.44) ALDH1A1MAPK1TP53HTTHSD17B10
SCHEMBL754056 0.76 ALDH1A1 (0.46) ALDH1A1NPC1MAPTHTTNPSR1

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
US-8445702-B2 Zinc binding compounds and their method of use Life Technologies Corporation (US) 2013-05-21 US disclosed
US-20110159517-A1 Zinc binding compounds and their method of use Life Technologies Corporation (US) 2011-06-30 US disclosed
US-20090181364-A1 ZINC BINDING COMPOUNDS AND THEIR METHOD OF USE INVITROGEN CORPORATION (US) 2009-07-16 US disclosed
US-20050250214-A1 Zinc binding compounds and their method of use MOLECULAR PROBES, INC. 2005-11-10 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 (2 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-20110159517-A1 Zinc binding compounds and their method of use SLC30A6, SLC30A7, SLC39A11 ALDH1A1 3563/4885MAPK1 4727/4885NPC1 529/4885
US-20050250214-A1 Zinc binding compounds and their method of use SLC30A6, SLC30A7, SLC39A11 ALDH1A1 3599/4885MAPK1 4710/4885NPC1 566/4885

“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.