SCHEMBL1095952

SCHEMBL1095952

CC1CCCCN1[C@H]1CCN(c2nc3ccc(-c4ccc(C#N)cc4)cc3s2)C1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 17/20 0.52
KCNH2 Q12809 6/20 0.51
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
MITF O75030 1/20 0.38
TP53 P04637 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL1093863 0.97 HRH3 (0.51) HRH3KCNH2MAPTKMT2ANPSR1
SCHEMBL1096047 0.97 HRH3 (0.51) HRH3KCNH2MAPTKMT2ANPSR1
SCHEMBL1093918 0.86 HRH3 (0.65) HRH3KCNH2
SCHEMBL1095586 0.86 HRH3 (0.65) HRH3KCNH2
SCHEMBL1096156 0.85 HRH3 (0.67) HRH3KCNH2
SCHEMBL1094350 0.85 HRH3 (0.67) HRH3KCNH2
SCHEMBL1094352 0.85 HRH3 (0.67) HRH3KCNH2
SCHEMBL1095208 0.85 HRH3 (0.67) HRH3KCNH2
SCHEMBL1096154 0.85 HRH3 (0.67) HRH3KCNH2
SCHEMBL1095939 0.84 HRH3 (0.49) HRH3KCNH2MAPTKMT2ANPSR1

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-8153813-B2 Benzothiazole and benzooxazole derivatives and methods of use ABBOTT LABORATORIES (US) 2012-04-10 US claimed
US-20090163464-A1 BENZOTHIAZOLE AND BENZOOXAZOLE DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2009-06-25 US claimed
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 4/4885KCNH2 2847/4885MAPT 2328/4885
US-20090163464-A1 BENZOTHIAZOLE AND BENZOOXAZOLE DERIVATIVES AND METHODS OF USE HRH2, HRH1, HRH4 HRH3 4/4885KCNH2 2847/4885MAPT 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.