SCHEMBL20969733

SCHEMBL20969733

COc1ccc(C(C)N)cc1Br

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.46
TAAR1 Q96RJ0 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL30385392 1.00 HTR2A (0.46) HTR2ATAAR1ALDH1A1MEN1LMNA
SCHEMBL15210443 1.00 HTR2A (0.46) HTR2ATAAR1ALDH1A1MEN1LMNA
Hydrochloric Acid SCHEMBL29138282 0.98 HTR2A (0.45) HTR2ATAAR1ALDH1A1MEN1LMNA
Hydrochloric Acid SCHEMBL30083262 0.98 HTR2A (0.45) HTR2ATAAR1ALDH1A1MEN1LMNA
Hydrochloric Acid SCHEMBL29138281 0.98 HTR2A (0.45) HTR2ATAAR1ALDH1A1MEN1LMNA
SCHEMBL8217961 0.85 HTR2A (0.46) HTR2ATAAR1
SCHEMBL30753311 0.85 HTR2A (0.46) HTR2ATAAR1
SCHEMBL15052824 0.85 HTR2A (0.46) HTR2ATAAR1
SCHEMBL27358818 0.85 HTR2A (0.46) HTR2ATAAR1
SCHEMBL2501525 0.84 ALDH1A1 (0.48) HTR2AALDH1A1MEN1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022263548-A1 3-SUBSTITUTED 1H-PYRROLO[2,3-B]PYRIDINE AS GRK5 MODULATORS LEAD DISCOVERY CENTER GMBH (DE) 2022-12-22 WO 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 HTR2A 4659/4885TAAR1 3745/4885ALDH1A1 3073/4885
US-10383859-B2 Benzo[d]thiazole derivative or salt thereof, and pharmaceutical composition including same ILK, SBDS, BDKRB1 HTR2A 4659/4885TAAR1 3745/4885ALDH1A1 3073/4885

“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.