SCHEMBL6068192

SCHEMBL6068192

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

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.57
NPC1 O15118 6/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
DYRK1A Q13627 1/20 0.55
ABL1 P00519 6/20 0.52
PTPN1 P18031 3/20 0.52
LCK P06239 1/20 0.52
KDM4E B2RXH2 1/20 0.48
STAT1 P42224 1/20 0.48
CSNK1D P48730 1/20 0.48
MAPK1 P28482 1/20 0.47

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
SCHEMBL6067974 0.88 PTPN1 (0.67) RAB9ANPC1SMN1; SMN2DYRK1AABL1
SCHEMBL2790525 0.85 NPC1 (0.73) RAB9ANPC1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL6068064 0.85 RAB9A (0.58) RAB9ANPC1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL13615361 0.84 ABL1 (0.58) RAB9ANPC1SMN1; SMN2ABL1PTPN1
SCHEMBL6068055 0.82 RAB9A (0.60) RAB9ANPC1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL1303393 0.81 RAB9A (0.69) RAB9ANPC1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL27566826 0.81 RAB9A (0.56) RAB9ANPC1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL3860064 0.80 RAB9A (0.57) RAB9ANPC1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL22208435 0.80 RAB9A (0.76) RAB9ANPC1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL1302829 0.80 RAB9A (0.64) RAB9ANPC1SMN1; SMN2CYP1A2CYP3A4

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 3594/4885SMN1; SMN2 4285/4885

“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.