SCHEMBL20969744

SCHEMBL20969744

COc1ccc(C(N)CCl)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.63
CYP2D6 P10635 1/20 0.63
CYP2C19 P33261 1/20 0.63
AOC3 Q16853 3/20 0.50
ALDH1A1 P00352 3/20 0.48
TDP1 Q9NUW8 3/20 0.48
MAPK1 P28482 2/20 0.48
TSHR P16473 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KDM4E B2RXH2 2/20 0.47
MAPT P10636 1/20 0.47
ESR2 Q92731 1/20 0.47
HSD17B10 Q99714 1/20 0.47
SLC6A4 P31645 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46

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
SCHEMBL4197005 0.81 CYP1A2 (0.66) CYP1A2CYP2D6CYP2C19AOC3ALDH1A1
SCHEMBL4963046 0.81 CYP1A2 (0.66) CYP1A2CYP2D6CYP2C19AOC3ALDH1A1
SCHEMBL4859606 0.81 CYP1A2 (0.66) CYP1A2CYP2D6CYP2C19AOC3ALDH1A1
SCHEMBL15157329 0.81 CYP1A2 (0.66) CYP1A2CYP2D6CYP2C19AOC3ALDH1A1
Hydrochloric Acid SCHEMBL11645014 0.79 CYP1A2 (0.63) CYP1A2CYP2D6CYP2C19AOC3ALDH1A1
SCHEMBL930984 0.79 AOC3 (0.59) CYP1A2CYP2D6CYP2C19AOC3ALDH1A1
SCHEMBL7770297 0.79 CYP1A2 (0.63) CYP1A2CYP2D6CYP2C19AOC3ALDH1A1
SCHEMBL316182 0.79 AOC3 (0.59) CYP1A2CYP2D6CYP2C19AOC3ALDH1A1
SCHEMBL20082798 0.79 CYP1A2 (0.63) CYP1A2CYP2D6CYP2C19AOC3ALDH1A1
SCHEMBL1554077 0.79 CYP1A2 (0.63) CYP1A2CYP2D6CYP2C19AOC3ALDH1A1

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
EP-3483149-B1 BENZO[D]THIAZOLE DERIVATIVE OR SALT THEREOF, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME YUHAN CORP (KR) 2021-01-13 EP disclosed
US-10383859-B2 Benzo[d]thiazole derivative or salt thereof, and pharmaceutical composition including same YUHAN CORPORATION (KR) 2019-08-20 US disclosed
US-20190142809-A1 Benzo[D]Thiazole Derivative Or Salt Thereof, And Pharmaceutical Composition Including Same YUHAN CORPORATION (KR) 2019-05-16 US disclosed
EP-3483149-A1 BENZO[D]THIAZOLE DERIVATIVE OR SALT THEREOF, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME Yuhan Corporation (KR) 2019-05-15 EP 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-20190142809-A1 Benzo[D]Thiazole Derivative Or Salt Thereof, And Pharmaceutical Composition Including Same ILK, SBDS, BDKRB1 CYP1A2 4452/4885CYP2D6 3325/4885CYP2C19 2851/4885
US-10383859-B2 Benzo[d]thiazole derivative or salt thereof, and pharmaceutical composition including same ILK, SBDS, BDKRB1 CYP1A2 4452/4885CYP2D6 3325/4885CYP2C19 2851/4885

“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.