SCHEMBL6068288

SCHEMBL6068288

CCNC(=O)Nc1nc2ccc3cc[nH]c3c2s1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
ABL1 P00519 12/20 0.50
PIK3CA P42336 1/20 0.43
PIK3CG P48736 1/20 0.43
PIK3CD O00329 1/20 0.43

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
SCHEMBL6067936 0.75 NPC1 (0.68) NPC1RAB9ASMN1; SMN2ABL1PIK3CA
SCHEMBL6067813 0.74 RAB9A (0.56) NPC1RAB9ASMN1; SMN2ABL1PIK3CA
SCHEMBL6068201 0.74 RAB9A (0.56) NPC1RAB9ASMN1; SMN2ABL1PIK3CA
SCHEMBL6068095 0.74 RAB9A (0.56) NPC1RAB9ASMN1; SMN2ABL1PIK3CA
SCHEMBL6067965 0.73 NPC1 (0.55) NPC1RAB9ASMN1; SMN2ABL1PIK3CA
SCHEMBL6068145 0.72 NPC1 (0.61) NPC1RAB9ASMN1; SMN2ABL1PIK3CA
SCHEMBL6067875 0.72 NPC1 (0.53) NPC1RAB9ASMN1; SMN2ABL1PIK3CA
SCHEMBL6068173 0.72 RAB9A (0.53) NPC1RAB9ASMN1; SMN2ABL1PIK3CA
SCHEMBL7250043 0.72 RAB9A (0.56) NPC1RAB9ASMN1; SMN2ABL1PIK3CA
SCHEMBL6067914 0.72 ABL1 (0.55) NPC1RAB9ASMN1; SMN2ABL1PIK3CA

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 2 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

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 NPC1 3594/4885RAB9A 3285/4885SMN1; 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.