SCHEMBL1096571

SCHEMBL1096571

CS(=O)(=O)O[C@@H]1CCN(c2nc3ccc(Br)cc3s2)C1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.54
NPC1 O15118 9/20 0.54
MAPT P10636 6/20 0.54
HTT P42858 2/20 0.54
ALDH1A1 P00352 2/20 0.54
SMN1; SMN2 Q16637 7/20 0.49
STAT3 P40763 1/20 0.46
TP53 P04637 6/20 0.43
MITF O75030 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SCD O00767 1/20 0.41
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL1096574 1.00 RAB9A (0.54) RAB9ANPC1MAPTHTTALDH1A1
SCHEMBL1093545 0.94 RAB9A (0.58) RAB9ANPC1MAPTHTTALDH1A1
SCHEMBL1093546 0.94 RAB9A (0.58) RAB9ANPC1MAPTHTTALDH1A1
SCHEMBL1095968 0.94 RAB9A (0.58) RAB9ANPC1MAPTHTTALDH1A1
SCHEMBL1095201 0.91 RAB9A (0.55) RAB9ANPC1MAPTHTTALDH1A1
SCHEMBL1095382 0.81 HRH3 (0.44) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL1095813 0.81 HRH3 (0.44) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL1095383 0.81 HRH3 (0.44) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL4637246 0.80 NPC1 (0.66) RAB9ANPC1MAPTSMN1; SMN2TP53
SCHEMBL1109089 0.79 RAB9A (0.64) RAB9ANPC1MAPTHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580968-B2 Benzothiazole and benzooxazole derivatives and methods of use ABBVIE INC. (US) 2013-11-12 US disclosed
US-8580968-B2 Benzothiazole and benzooxazole derivatives and methods of use ABBVIE INC. (US) 2013-11-12 US disclosed
US-20120164070-A1 BENZOTHIAZOLE AND BENZOOXAZOLE DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2012-06-28 US disclosed
US-8153813-B2 Benzothiazole and benzooxazole derivatives and methods of use ABBOTT LABORATORIES (US) 2012-04-10 US disclosed
US-8153813-B2 Benzothiazole and benzooxazole derivatives and methods of use ABBOTT LABORATORIES (US) 2012-04-10 US disclosed
US-20090163464-A1 BENZOTHIAZOLE AND BENZOOXAZOLE DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2009-06-25 US disclosed
US-20090163464-A1 BENZOTHIAZOLE AND BENZOOXAZOLE DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2009-06-25 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 (2 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-20120164070-A1 BENZOTHIAZOLE AND BENZOOXAZOLE DERIVATIVES AND METHODS OF USE HRH2, HRH1, HRH4 RAB9A 4401/4885NPC1 2712/4885MAPT 2328/4885
US-20090163464-A1 BENZOTHIAZOLE AND BENZOOXAZOLE DERIVATIVES AND METHODS OF USE HRH2, HRH1, HRH4 RAB9A 4401/4885NPC1 2712/4885MAPT 2328/4885

“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.