SCHEMBL3017707

SCHEMBL3017707

O=C(CCCCCc1ccccc1)NS(=O)(=O)c1cccc(-c2ccc3c(c2)C(=O)CCC3)n1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.39
MAOB P27338 3/20 0.39
BCL2L1 Q07817 4/20 0.38
PTGER1 P34995 1/20 0.37
PTGER4 P35408 1/20 0.37
PTGER3 P43115 1/20 0.37
EPHX1 P07099 1/20 0.37
HDAC2 Q92769 3/20 0.36
HDAC1 Q13547 2/20 0.36
ALOX5 P09917 1/20 0.36
DAGLA Q9Y4D2 1/20 0.35
F13A1 P00488 1/20 0.34
LMNA P02545 1/20 0.34
MAPK14 Q16539 1/20 0.34

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 0.80 BAZ2B (0.39) MAOAMAOBBCL2L1
SCHEMBL3013283 0.72 MAOA (0.39) MAOAMAOBBCL2L1
SCHEMBL3012933 0.69 BCL2L1 (0.56) BCL2L1
SCHEMBL30641498 0.62 MAOA (0.49) MAOAMAOB
SCHEMBL3015838 0.62 HSD17B1 (0.41) MAOAMAOBBCL2L1
SCHEMBL31512087 0.62 FFAR4 (0.50) MAOAMAOBHDAC2HDAC1
SCHEMBL7535153 0.62 FFAR4 (0.50) MAOAMAOBHDAC2HDAC1
SCHEMBL29395799 0.61 MAOA (0.58) MAOAMAOBLMNA
SCHEMBL5211178 0.61 MAOA (0.58) MAOAMAOBLMNA
SCHEMBL15414719 0.61 MAOB (0.81) MAOAMAOB

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 4361/4885BCL2L1 4/4885

“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.