SCHEMBL6329477

SCHEMBL6329477

CC(Br)C(=O)c1cc2c(F)cccc2s1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 11/20 0.54
ALDH1A1 P00352 1/20 0.52
POLB P06746 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
CHRNA7 P36544 1/20 0.45
RIPK1 Q13546 1/20 0.41
HDAC3 O15379 2/20 0.40
HDAC4 P56524 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC10 Q969S8 2/20 0.40
HDAC11 Q96DB2 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC9 Q9UKV0 2/20 0.40
HDAC5 Q9UQL6 2/20 0.40
F9 P00740 1/20 0.39
PLAU P00749 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
SCHEMBL6331428 0.85 SLC9A1 (0.56) SLC9A1ALDH1A1HDAC3HDAC4HDAC1
SCHEMBL6327474 0.84 HDAC3 (0.60) SLC9A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL6089271 0.79 SLC9A1 (0.60) SLC9A1ALDH1A1POLBL3MBTL1CHRNA7
SCHEMBL6329614 0.79 HDAC3 (0.43) SLC9A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL2893037 0.77 SLC9A1 (0.62) SLC9A1ALDH1A1POLBL3MBTL1CHRNA7
SCHEMBL721446 0.75 L3MBTL1 (0.57) SLC9A1ALDH1A1POLBL3MBTL1CHRNA7
SCHEMBL6331522 0.75 SLC9A1 (0.56) SLC9A1ALDH1A1POLBL3MBTL1CHRNA7
SCHEMBL6329927 0.73 MEN1 (0.47) POLBCHRNA7F9
SCHEMBL4109757 0.72 CES2 (0.41) ALDH1A1
SCHEMBL6337681 0.72 L3MBTL1 (0.57) SLC9A1ALDH1A1POLBL3MBTL1CHRNA7

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
US-6900216-B2 Dihydroimidazo[2,1-b]thiazole and dihydro-5h-thiazolo[3,2-A]pyrimidines as antidepressant agents KNOLL GMBH (DE) 2005-05-31 US disclosed
US-20030166628-A1 Dihydroimidazo[2,1-b]thiazole and dihydro-5h-thiazolo[3,2-A]pyrimidines as antidepressant agents KNOLL GMBH (DE) 2003-09-04 US disclosed
EP-1268489-A1 DIHYDROIMIDAZO[2,1-B]THIAZOLE AND DIHYDRO-5H-THIAZOLO[3,2-A]PYRIMIDINES AS ANTIDEPRESSANT AGENTS Knoll GmbH (DE) 2003-01-02 EP disclosed
WO-2001068653-A1 DIHYDROIMIDAZO[2,1-B]THIAZOLE AND DIHYDRO-5H-THIAZOLO[3,2-A]PYRIMIDINES AS ANTIDEPRESSANT AGENTS KNOLL GMBH (DE) 2001-09-20 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 (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-20030166628-A1 Dihydroimidazo[2,1-b]thiazole and dihydro-5h-thiazolo[3,2-A]pyrimidines as antidepressant agents GPR119, HTR3B, HTR2B SLC9A1 3058/4885ALDH1A1 439/4885POLB 1574/4885

“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.