SCHEMBL1095565

SCHEMBL1095565

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.46
KCNH2 Q12809 2/20 0.44
TP53 P04637 6/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
EGLN2 Q96KS0 1/20 0.40
MAPT P10636 5/20 0.39
KMT2A Q03164 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
USP30 Q70CQ3 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
NFKB1 P19838 2/20 0.38
NFKB2 Q00653 2/20 0.38
RELA Q04206 2/20 0.38
MITF O75030 1/20 0.38
APP P05067 1/20 0.38
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 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
SCHEMBL1095566 1.00 HRH3 (0.46) HRH3KCNH2TP53SMN1; SMN2EGLN2
SCHEMBL1094152 0.91 HRH3 (0.45) HRH3KCNH2TP53SMN1; SMN2EGLN2
SCHEMBL1094151 0.91 HRH3 (0.45) HRH3KCNH2TP53SMN1; SMN2EGLN2
SCHEMBL1094449 0.85 HRH3 (0.45) HRH3KCNH2TP53SMN1; SMN2EGLN2
SCHEMBL1094450 0.85 HRH3 (0.45) HRH3KCNH2TP53SMN1; SMN2EGLN2
SCHEMBL1096234 0.81 HRH3 (0.50) HRH3KCNH2TP53SMN1; SMN2MAPT
SCHEMBL1094234 0.81 HRH3 (0.50) HRH3KCNH2TP53SMN1; SMN2MAPT
SCHEMBL1094232 0.81 HRH3 (0.50) HRH3KCNH2TP53SMN1; SMN2MAPT
SCHEMBL1093918 0.79 HRH3 (0.65) HRH3KCNH2EGLN2
SCHEMBL1095586 0.79 HRH3 (0.65) HRH3KCNH2EGLN2

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 2847/4885TP53 4804/4885
US-20090163464-A1 BENZOTHIAZOLE AND BENZOOXAZOLE DERIVATIVES AND METHODS OF USE HRH2, HRH1, HRH4 HRH3 4/4885KCNH2 2847/4885TP53 4804/4885

“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.