SCHEMBL19737592

SCHEMBL19737592

Cc1cc(Cl)c2c(c1)OCCN2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
GAA P10253 2/20 0.46
HSD17B10 Q99714 2/20 0.46
MAPT P10636 1/20 0.46
ADRA2A P08913 2/20 0.35
ADRA2C P18825 2/20 0.35
ADRA1D P25100 2/20 0.35
ADRA1A P35348 2/20 0.35
ADRA1B P35368 2/20 0.35
ADRA2B P18089 1/20 0.35
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
ATM Q13315 1/20 0.34
MAP4K1 Q92918 3/20 0.34
GRM5 P41594 1/20 0.33
GRM1 Q13255 1/20 0.33
PDE7A Q13946 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
SCHEMBL19751510 0.81 ALDH1A1 (0.49) ALDH1A1GAAHSD17B10MAPTADRA2A
SCHEMBL15828688 0.81 MAPT (0.36) ALDH1A1GAAHSD17B10MAPTADRA2A
SCHEMBL30954167 0.79 FABP6 (0.41) ALDH1A1GAAHSD17B10MAPTADRA2A
SCHEMBL19751511 0.79 ALDH1A1 (0.46) ALDH1A1GAAHSD17B10MAPTADRA2A
SCHEMBL19751518 0.79 ALDH1A1 (0.46) ALDH1A1GAAHSD17B10MAPTADRA2A
SCHEMBL19751547 0.79 ALDH1A1 (0.46) ALDH1A1GAAHSD17B10MAPTADRA2A
SCHEMBL5246441 0.79 ALDH1A1 (0.46) ALDH1A1GAAHSD17B10MAPTADRA2A
SCHEMBL19737593 0.78 MAPT (0.36) ALDH1A1GAAHSD17B10MAPTADRA2A
SCHEMBL4870090 0.78 GRM1 (0.36) ALDH1A1GAAHSD17B10MAPTADRA2A
SCHEMBL19751509 0.76 ALDH1A1 (0.44) ALDH1A1GAAHSD17B10MAPTADRA2A

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-3318557-A2 QUINOLONE COMPOUND Otsuka Pharmaceutical Co., Ltd. (JP) 2018-05-09 EP disclosed
EP-2751083-B1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2017-12-27 EP disclosed
US-20170362180-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2017-12-21 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-20170362180-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 ALDH1A1 1445/4885GAA 3410/4885HSD17B10 640/4885

“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.