SCHEMBL6067968

SCHEMBL6067968

CCNC(=O)Nc1nc2cc([N+](=O)[O-])c(Cl)cc2s1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
ABL1 P00519 10/20 0.53
KMT2A Q03164 3/20 0.52
MAPT P10636 2/20 0.52
MEN1 O00255 1/20 0.52
PGK1 P00558 1/20 0.49
CXCR2 P25025 1/20 0.47
PIK3CA P42336 1/20 0.46
PIK3CG P48736 1/20 0.46
MMP13 P45452 1/20 0.46
DYRK1A Q13627 1/20 0.46
PIK3CD O00329 1/20 0.45

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
SCHEMBL4496509 0.81 NPC1 (0.69) NPC1RAB9ASMN1; SMN2ABL1PIK3CA
SCHEMBL6068032 0.80 KMT2A (0.74) NPC1RAB9ASMN1; SMN2ABL1KMT2A
SCHEMBL6068056 0.80 NPC1 (0.57) NPC1RAB9ASMN1; SMN2ABL1PIK3CA
SCHEMBL6067997 0.78 DYRK1A (0.71) NPC1RAB9ASMN1; SMN2ABL1PIK3CA
SCHEMBL14824329 0.77 NPC1 (0.64) NPC1RAB9ASMN1; SMN2ABL1PIK3CA
SCHEMBL31395701 0.76 LCK (0.52) NPC1RAB9AKMT2AMAPTMEN1
SCHEMBL3664440 0.74 NPC1 (0.60) NPC1RAB9ASMN1; SMN2ABL1PIK3CA
SCHEMBL6068168 0.74 ABL1 (0.71) NPC1RAB9ASMN1; SMN2ABL1KMT2A
SCHEMBL6068173 0.74 RAB9A (0.53) NPC1RAB9ASMN1; SMN2ABL1KMT2A
SCHEMBL6067875 0.74 NPC1 (0.53) NPC1RAB9ASMN1; SMN2ABL1KMT2A

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.