SCHEMBL3117271

SCHEMBL3117271

CCOC(=O)c1nc(Cl)sc1CBr

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
CYP1A2 P05177 2/20 0.45
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
TARBP2 Q15633 3/20 0.42
GAA P10253 3/20 0.40
MAPT P10636 4/20 0.40
NPC1 O15118 2/20 0.40
MAPK1 P28482 2/20 0.40
HSD17B10 Q99714 2/20 0.40
TP53 P04637 1/20 0.40
XBP1 P17861 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TLR9 Q9NR96 1/20 0.40
LMNA P02545 2/20 0.39
GLP1R P43220 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.38
MEN1 O00255 1/20 0.38
RAB9A P51151 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
SCHEMBL31661270 0.87 ALDH1A1 (0.47) ALDH1A1CYP1A2TARBP2GAAMAPT
SCHEMBL31661321 0.84 FBP1 (0.50) ALDH1A1CYP1A2TARBP2GAAMAPT
SCHEMBL22257231 0.84 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP4F2CYP4A11TARBP2
SCHEMBL28095126 0.84 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP4F2CYP4A11TARBP2
SCHEMBL31599394 0.81 ALDH1A1 (0.47) ALDH1A1CYP1A2TARBP2GAAMAPT
SCHEMBL31661273 0.81 ALDH1A1 (0.42) ALDH1A1CYP1A2TARBP2GAAMAPT
SCHEMBL9861374 0.80 ALDH1A1 (0.50) ALDH1A1CYP1A2TARBP2GAAMAPT
SCHEMBL2826874 0.80 GAA (0.55) ALDH1A1CYP1A2TARBP2GAAMAPT
SCHEMBL1505552 0.79 ALDH1A1 (0.66) ALDH1A1CYP1A2TARBP2GAAMAPT
SCHEMBL31163635 0.78 ALDH1A1 (0.55) ALDH1A1CYP1A2TARBP2GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1853586-B1 ANTIBACTERIAL PIPERIDINE DERIVATIVES ASTRAZENECA AB (SE) 2013-07-24 EP disclosed
US-20130150366-A1 CHEMICAL COMPOUNDS ASTRAZENECA, INTELLECTUAL PROPERTY (GB) 2013-06-13 US disclosed
US-20130150366-A1 CHEMICAL COMPOUNDS ASTRAZENECA, INTELLECTUAL PROPERTY (GB) 2013-06-13 US disclosed
US-20130150366-A1 CHEMICAL COMPOUNDS ASTRAZENECA, INTELLECTUAL PROPERTY (GB) 2013-06-13 US disclosed
US-8399489-B2 Antibacterial piperdine derivatives ASTRAZENECA AB (GB) 2013-03-19 US disclosed
US-8399489-B2 Antibacterial piperdine derivatives ASTRAZENECA AB (GB) 2013-03-19 US disclosed
US-8399489-B2 Antibacterial piperdine derivatives ASTRAZENECA AB (GB) 2013-03-19 US disclosed
US-20100179150-A1 ANTIBACTERIAL PIPERDINE DERIVATIVES ASTRAZENECA AB (SE) 2010-07-15 US disclosed
US-20100179150-A1 ANTIBACTERIAL PIPERDINE DERIVATIVES ASTRAZENECA AB (SE) 2010-07-15 US disclosed
US-20100179150-A1 ANTIBACTERIAL PIPERDINE DERIVATIVES ASTRAZENECA AB (SE) 2010-07-15 US disclosed
EP-1853586-A1 ANTIBACTERIAL PIPERIDINE DERIVATIVES AstraZeneca AB (SE) 2007-11-14 EP disclosed
WO-2006087543-A1 ANTIBACTERIAL PIPERIDINE DERIVATIVES ASTRAZENECA AB (SE) 2006-08-24 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 (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-20130150366-A1 CHEMICAL COMPOUNDS MRPL21, NISCH, CFTR ALDH1A1 419/4885CYP1A2 33/4885CYP4F2 85/4885
US-20100179150-A1 ANTIBACTERIAL PIPERDINE DERIVATIVES PIR, HAMP, AMPD2 ALDH1A1 502/4885CYP1A2 602/4885CYP4F2 3100/4885

“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.