SCHEMBL6068378

SCHEMBL6068378

CCNC(=O)Nc1nc2cccc([S+]([O-])c3ccccc3)c2s1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.58
RAB9A P51151 4/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
ABL1 P00519 9/20 0.51
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40

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
SCHEMBL27586272 0.82 MEN1 (0.41) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL6067936 0.78 NPC1 (0.68) NPC1RAB9ASMN1; SMN2ABL1MEN1
SCHEMBL6068377 0.78 NPC1 (0.64) NPC1RAB9ASMN1; SMN2ABL1
SCHEMBL6067996 0.75 NPC1 (0.60) NPC1RAB9ASMN1; SMN2ABL1MEN1
SCHEMBL6067890 0.74 NPC1 (0.59) NPC1RAB9ASMN1; SMN2ABL1MEN1
SCHEMBL1842324 0.74 NPC1 (1.00) NPC1RAB9ASMN1; SMN2ABL1MEN1
Hydrochloric Acid SCHEMBL1844043 0.73 NPC1 (0.97) NPC1RAB9ASMN1; SMN2ABL1MEN1
SCHEMBL6068145 0.73 NPC1 (0.61) NPC1RAB9ASMN1; SMN2ABL1
SCHEMBL6067763 0.73 NPC1 (0.61) NPC1RAB9ASMN1; SMN2ABL1MEN1
SCHEMBL7597754 0.72 ALDH1A1 (0.33) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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.