SCHEMBL1094449

SCHEMBL1094449

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.45
KCNH2 Q12809 2/20 0.44
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
EGLN2 Q96KS0 1/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
USP30 Q70CQ3 2/20 0.40
APP P05067 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
KDM1A O60341 1/20 0.38
TP53 P04637 2/20 0.37
NPC1 O15118 1/20 0.37
MITF O75030 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
HSD11B1 P28845 2/20 0.37

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
SCHEMBL1094450 1.00 HRH3 (0.45) HRH3KCNH2NR1H2NR1H3EGLN2
SCHEMBL1094151 0.86 HRH3 (0.45) HRH3KCNH2EGLN2MAPTKMT2A
SCHEMBL1094152 0.86 HRH3 (0.45) HRH3KCNH2EGLN2MAPTKMT2A
SCHEMBL1095566 0.85 HRH3 (0.46) HRH3KCNH2EGLN2MAPTKMT2A
SCHEMBL1095565 0.85 HRH3 (0.46) HRH3KCNH2EGLN2MAPTKMT2A
SCHEMBL1096234 0.81 HRH3 (0.50) HRH3KCNH2MAPTKMT2ANPSR1
SCHEMBL1094232 0.81 HRH3 (0.50) HRH3KCNH2MAPTKMT2ANPSR1
SCHEMBL1094234 0.81 HRH3 (0.50) HRH3KCNH2MAPTKMT2ANPSR1
SCHEMBL1095382 0.78 HRH3 (0.44) HRH3KCNH2NR1H2NR1H3MAPT
SCHEMBL1095383 0.78 HRH3 (0.44) HRH3KCNH2NR1H2NR1H3MAPT

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 2847/4885NR1H2 556/4885
US-20090163464-A1 BENZOTHIAZOLE AND BENZOOXAZOLE DERIVATIVES AND METHODS OF USE HRH2, HRH1, HRH4 HRH3 4/4885KCNH2 2847/4885NR1H2 556/4885

“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.