SCHEMBL20969587

SCHEMBL20969587

NCCc1cc(F)c(F)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 11/20 0.50
NOS3 P29474 1/20 0.44
NOS1 P29475 1/20 0.44
NOS2 P35228 1/20 0.44
MAOB P27338 1/20 0.43
HTR2A P28223 2/20 0.42
CYP2A6 P11509 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
PNMT P11086 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
ADRB2 P07550 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39

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
Iodide SCHEMBL28981857 0.97 TAAR1 (0.48) TAAR1NOS3NOS1NOS2MAOB
SCHEMBL16105773 0.85 CES2 (0.39) TAAR1NOS3NOS1NOS2MAOB
SCHEMBL31338761 0.84 TAAR1 (0.41) TAAR1NOS3NOS1NOS2MAOB
SCHEMBL1764604 0.80 LOXL2 (0.43) TAAR1MAOBLOXL2PNMT
SCHEMBL27846983 0.79 TAAR1 (0.46) TAAR1MAOBHTR2ACYP2A6SMN1; SMN2
SCHEMBL3694053 0.79 TAAR1 (0.48) TAAR1KDM4EALDH1A1TP53ADRB2
SCHEMBL64200 0.78 TAAR1 (0.53) TAAR1HTR2ACYP2A6SMN1; SMN2LOXL2
SCHEMBL17791528 0.78 PTGS2 (0.38) NOS3NOS1NOS2MAOBHTR2A
SCHEMBL1014548 0.78 TAAR1 (0.60) TAAR1MAOBHTR2ACYP2A6SMN1; SMN2
Hydrochloric Acid SCHEMBL2211247 0.76 TAAR1 (0.58) TAAR1MAOBHTR2ACYP2A6SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025054260-A1 INHIBITORS OF MEK KINASE KINNATE BIOPHARMA INC. (US) 2025-03-13 WO disclosed
CN-114709335-B Application of organic fluoride and iodide thereof as solar cell interface modification material and solar cell based on material 暨南大学 2023-03-10 CN disclosed
CN-114709335-A Application of organic fluoride and iodide thereof as solar cell interface modification material and solar cell based on material 暨南大学 2022-07-05 CN disclosed
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 TAAR1 3745/4885NOS3 4851/4885NOS1 4858/4885
US-10383859-B2 Benzo[d]thiazole derivative or salt thereof, and pharmaceutical composition including same ILK, SBDS, BDKRB1 TAAR1 3745/4885NOS3 4851/4885NOS1 4858/4885

“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.