SCHEMBL1094151

SCHEMBL1094151

CCN(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 8/20 0.45
KCNH2 Q12809 1/20 0.44
EGLN2 Q96KS0 1/20 0.41
TP53 P04637 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
APP P05067 1/20 0.39
MAPT P10636 3/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
USP30 Q70CQ3 1/20 0.38
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
KDM1A O60341 1/20 0.38
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
MCHR1 Q99705 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
SCHEMBL1094152 1.00 HRH3 (0.45) HRH3KCNH2EGLN2TP53SMN1; SMN2
SCHEMBL1095566 0.91 HRH3 (0.46) HRH3KCNH2EGLN2TP53SMN1; SMN2
SCHEMBL1095565 0.91 HRH3 (0.46) HRH3KCNH2EGLN2TP53SMN1; SMN2
SCHEMBL1094449 0.86 HRH3 (0.45) HRH3KCNH2EGLN2TP53SMN1; SMN2
SCHEMBL1094450 0.86 HRH3 (0.45) HRH3KCNH2EGLN2TP53SMN1; SMN2
SCHEMBL1094234 0.81 HRH3 (0.50) HRH3KCNH2TP53SMN1; SMN2APP
SCHEMBL1096234 0.81 HRH3 (0.50) HRH3KCNH2TP53SMN1; SMN2APP
SCHEMBL1094232 0.81 HRH3 (0.50) HRH3KCNH2TP53SMN1; SMN2APP
SCHEMBL1093918 0.78 HRH3 (0.65) HRH3KCNH2EGLN2
SCHEMBL1095586 0.78 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 2847/4885EGLN2 401/4885
US-20090163464-A1 BENZOTHIAZOLE AND BENZOOXAZOLE DERIVATIVES AND METHODS OF USE HRH2, HRH1, HRH4 HRH3 4/4885KCNH2 2847/4885EGLN2 401/4885

“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.