SCHEMBL6068064

SCHEMBL6068064

O=C(O)CCCNC(=O)Nc1nc2ccc(Br)cc2s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.58
NPC1 O15118 6/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
DYRK1A Q13627 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.57
MITF O75030 1/20 0.54
POLB P06746 1/20 0.54
APEX1 P27695 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
ALDH1A1 P00352 2/20 0.51
CLK1 P49759 2/20 0.51
TP53 P04637 1/20 0.51
HPGD P15428 1/20 0.51
ABL1 P00519 2/20 0.50
MAPT P10636 2/20 0.49
LCK P06239 1/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL27566826 0.95 RAB9A (0.56) RAB9ANPC1CYP1A2CYP3A4CYP2C9
SCHEMBL6068055 0.87 RAB9A (0.60) RAB9ANPC1CYP1A2CYP3A4CYP2C9
SCHEMBL1302829 0.85 RAB9A (0.64) RAB9ANPC1CYP1A2CYP3A4CYP2C9
SCHEMBL6068192 0.85 RAB9A (0.57) RAB9ANPC1CYP1A2CYP3A4CYP2C9
SCHEMBL2790542 0.83 RAB9A (0.75) RAB9ANPC1DYRK1ASMN1; SMN2POLB
SCHEMBL6068383 0.82 RAB9A (0.52) RAB9ANPC1CYP1A2CYP3A4CYP2C9
SCHEMBL1303393 0.82 RAB9A (0.69) RAB9ANPC1CYP1A2CYP3A4CYP2C9
SCHEMBL1302984 0.81 ABL1 (0.65) RAB9ANPC1CYP1A2CYP3A4CYP2C9
SCHEMBL18541791 0.80 LCK (0.62) RAB9ANPC1CYP1A2CYP3A4CYP2C9
SCHEMBL3860064 0.79 RAB9A (0.57) RAB9ANPC1CYP1A2CYP3A4CYP2C9

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
US-7091227-B2 Benzothiazole derivatives ABBOTT GMBH & CO. KG (DE) 2006-08-15 US disclosed
US-20030153568-A1 Benzothiazole derivatives BASF AKTIENGESELLSCHAFT LUDWIGSHAFEN, GERMANY 2003-08-14 US disclosed
CN-1422262-A 2-benzothiazolyl urea derivatives and their use as protein kinase inhibitors ABBOTT GMBH & CO KG (DE) 2003-06-04 CN disclosed
EP-1254123-A1 2-BENZOTHIAZOLYL UREA DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS Abbott GmbH & Co. KG (DE) 2002-11-06 EP disclosed
WO-2001057008-A1 2-BENZOTHIAZOLYL UREA DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS ABBOTT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG & COMPANY KOMMANDITGESELLSCHAFT (DE) 2001-08-09 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-20030153568-A1 Benzothiazole derivatives TK1, FLT1, CDK1 RAB9A 3285/4885NPC1 3594/4885CYP1A2 1116/4885

“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.