SCHEMBL1094495

SCHEMBL1094495

CN(C)C(=O)c1ccc2nc(N3CC[C@@H](N4CCCCC4)C3)sc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.53
NPC1 O15118 6/20 0.53
RAB9A P51151 6/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MITF O75030 1/20 0.53
TP53 P04637 1/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
MAPK1 P28482 1/20 0.49
KCNH2 Q12809 3/20 0.48
POLB P06746 1/20 0.47
GAA P10253 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HPGD P15428 2/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL1094496 1.00 HRH3 (0.53) HRH3NPC1RAB9ASMN1; SMN2MITF
SCHEMBL1095699 0.91 GAA (0.49) HRH3NPC1RAB9ASMN1; SMN2MITF
SCHEMBL1095697 0.91 GAA (0.49) HRH3NPC1RAB9ASMN1; SMN2MITF
SCHEMBL1095437 0.88 NPC1 (0.65) HRH3NPC1RAB9ASMN1; SMN2MITF
SCHEMBL1096072 0.88 NPC1 (0.65) HRH3NPC1RAB9ASMN1; SMN2MITF
SCHEMBL1094720 0.87 SMN1; SMN2 (0.58) HRH3NPC1RAB9ASMN1; SMN2MITF
SCHEMBL1094723 0.87 SMN1; SMN2 (0.58) HRH3NPC1RAB9ASMN1; SMN2MITF
SCHEMBL1095352 0.84 SMN1; SMN2 (0.72) HRH3NPC1RAB9ASMN1; SMN2MITF
SCHEMBL1095351 0.84 SMN1; SMN2 (0.72) HRH3NPC1RAB9ASMN1; SMN2MITF
SCHEMBL1094905 0.83 RAB9A (0.59) NPC1RAB9ASMN1; SMN2POLBGAA

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 7 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 claimed
US-20120164070-A1 BENZOTHIAZOLE AND BENZOOXAZOLE DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2012-06-28 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 4/4885NPC1 2712/4885RAB9A 4401/4885
US-20090163464-A1 BENZOTHIAZOLE AND BENZOOXAZOLE DERIVATIVES AND METHODS OF USE HRH2, HRH1, HRH4 HRH3 4/4885NPC1 2712/4885RAB9A 4401/4885

“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.