SCHEMBL6329409

SCHEMBL6329409

CC(Br)C(=O)c1cccc2ccsc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.41
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
PTGDR Q13258 2/20 0.32
TBXA2R P21731 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32
PIK3C2B O00750 1/20 0.31
MCL1 Q07820 1/20 0.31
PTGES O14684 1/20 0.31
RORC P51449 1/20 0.31
RORB Q92753 1/20 0.31
DAO P14920 1/20 0.31
PIM1 P11309 1/20 0.31
SLC6A2 P23975 1/20 0.31

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
SCHEMBL22951424 0.87 CYP2A6 (0.43) CYP2A6HDAC4HDAC1HDAC8HDAC6
SCHEMBL3793757 0.78 CYP2A6 (0.47) CYP2A6HDAC4HDAC1HDAC8HDAC6
SCHEMBL1476003 0.75 CYP2A6 (0.48) CYP2A6HDAC4HDAC1HDAC8HDAC6
SCHEMBL6234107 0.74 CYP2A6 (0.47) CYP2A6HDAC4HDAC1HDAC8HDAC6
SCHEMBL1476821 0.74 CYP2A6 (0.47) CYP2A6HDAC4HDAC1HDAC8HDAC6
SCHEMBL4099062 0.74 NR4A1 (0.57) HDAC8ALDH1A1CYP1A2CYP2C9
SCHEMBL6327434 0.73 CYP2A6 (0.43) CYP2A6HDAC4HDAC1HDAC8HDAC6
SCHEMBL5799568 0.73 PLK1 (0.54) CYP2A6HDAC4HDAC1HDAC8HDAC6
SCHEMBL22951423 0.73 CYP2A6 (0.43) CYP2A6HDAC4HDAC1HDAC8HDAC6
SCHEMBL2084218 0.73 TSHR (0.46) CYP2A6HDAC4HDAC1HDAC8HDAC6

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 CYP2A6 1708/4885HDAC4 1852/4885HDAC1 1492/4885

“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.