SCHEMBL3013283

SCHEMBL3013283

NS(=O)(=O)c1cccc(-c2ccc3c(c2)C(=O)CCC3)n1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.39
MAOB P27338 4/20 0.39
CYP2A6 P11509 1/20 0.39
CA1 P00915 5/20 0.38
CA2 P00918 5/20 0.38
MET P08581 2/20 0.38
CA12 O43570 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
HSD17B1 P14061 1/20 0.35
BCL2L1 Q07817 3/20 0.35
BRD4 O60885 1/20 0.34
HSD11B1 P28845 2/20 0.33
CA4 P22748 2/20 0.33
CA9 Q16790 2/20 0.33

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
SCHEMBL3010699 0.81 BAZ2B (0.39) MAOAMAOBCYP2A6METHSD17B1
SCHEMBL3012933 0.76 BCL2L1 (0.56) BCL2L1
SCHEMBL30641498 0.73 MAOA (0.49) MAOAMAOBCYP2A6METHSD17B1
SCHEMBL3017707 0.72 MAOA (0.39) MAOAMAOBBCL2L1
SCHEMBL29649377 0.70 CA1 (0.66) MAOAMAOBCYP2A6CA1CA2
SCHEMBL7135031 0.70 CA1 (0.66) MAOAMAOBCYP2A6CA1CA2
SCHEMBL3015838 0.70 HSD17B1 (0.41) MAOAMAOBCYP2A6METHSD17B1
SCHEMBL5211178 0.69 MAOA (0.58) MAOAMAOBCYP2A6HSD17B1
SCHEMBL29395799 0.69 MAOA (0.58) MAOAMAOBCYP2A6HSD17B1
SCHEMBL27451405 0.68 MEN1 (0.56) CA1CA2CA12CA7CA14

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100197711-A1 BENZOTHIAZOLE COMPOUNDS THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2010-08-05 US disclosed
US-20100197711-A1 BENZOTHIAZOLE COMPOUNDS THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2010-08-05 US disclosed
US-20100197711-A1 BENZOTHIAZOLE COMPOUNDS THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2010-08-05 US disclosed
EP-2193127-A1 BENZOTHIAZOLE COMPOUNDS The Walter and Eliza Hall Institute of Medical Research (AU) 2010-06-09 EP disclosed
WO-2009039553-A1 BENZOTHIAZOLE COMPOUNDS THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2009-04-02 WO disclosed
WO-2009039553-A1 BENZOTHIAZOLE COMPOUNDS THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2009-04-02 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-20100197711-A1 BENZOTHIAZOLE COMPOUNDS BAD, BCL2, BAX MAOA 4693/4885MAOB 4361/4885CYP2A6 4578/4885

“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.