SCHEMBL1095382

SCHEMBL1095382

CS(=O)(=O)O[C@@H]1CCN(c2nc3ccc(-c4ccc(C#N)cc4)cc3s2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.44
MAPT P10636 4/20 0.44
NPSR1 Q6W5P4 2/20 0.44
KMT2A Q03164 1/20 0.44
KCNH2 Q12809 2/20 0.43
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
LIPG Q9Y5X9 1/20 0.40
NPC1 O15118 5/20 0.39
RAB9A P51151 5/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
TP53 P04637 5/20 0.39
MITF O75030 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
LMNA P02545 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL1095813 1.00 HRH3 (0.44) HRH3MAPTNPSR1KMT2AKCNH2
SCHEMBL1095383 1.00 HRH3 (0.44) HRH3MAPTNPSR1KMT2AKCNH2
SCHEMBL1094234 0.82 HRH3 (0.50) HRH3MAPTNPSR1KMT2AKCNH2
SCHEMBL1096234 0.82 HRH3 (0.50) HRH3MAPTNPSR1KMT2AKCNH2
SCHEMBL1094232 0.82 HRH3 (0.50) HRH3MAPTNPSR1KMT2AKCNH2
SCHEMBL1096571 0.81 RAB9A (0.54) MAPTNPSR1NPC1RAB9ASMN1; SMN2
SCHEMBL1096574 0.81 RAB9A (0.54) MAPTNPSR1NPC1RAB9ASMN1; SMN2
SCHEMBL3665609 0.80 NR1H2 (0.41) HRH3MAPTNPSR1KMT2AKCNH2
SCHEMBL1094450 0.78 HRH3 (0.45) HRH3MAPTNPSR1KMT2AKCNH2
SCHEMBL1094449 0.78 HRH3 (0.45) HRH3MAPTNPSR1KMT2AKCNH2

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 4 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-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-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 HRH3 4/4885MAPT 2328/4885NPSR1 154/4885
US-20090163464-A1 BENZOTHIAZOLE AND BENZOOXAZOLE DERIVATIVES AND METHODS OF USE HRH2, HRH1, HRH4 HRH3 4/4885MAPT 2328/4885NPSR1 154/4885

“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.