SCHEMBL1096181

SCHEMBL1096181

Brc1ccc2nc(N3CC[C@@H](N4CCCCC4)C3)sc2c1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.66
RAB9A P51151 5/20 0.66
MAPT P10636 2/20 0.66
ALDH1A1 P00352 2/20 0.66
HTT P42858 1/20 0.66
HRH3 Q9Y5N1 15/20 0.57
KCNH2 Q12809 5/20 0.54
SMN1; SMN2 Q16637 2/20 0.53

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
SCHEMBL1096182 1.00 NPC1 (0.66) NPC1RAB9AMAPTALDH1A1HTT
SCHEMBL1094336 0.99 NPC1 (0.67) NPC1RAB9AMAPTALDH1A1HTT
SCHEMBL1094821 0.94 RAB9A (0.68) NPC1RAB9AMAPTALDH1A1HTT
SCHEMBL1095389 0.94 RAB9A (0.68) NPC1RAB9AMAPTALDH1A1HTT
SCHEMBL1095461 0.94 RAB9A (0.68) NPC1RAB9AMAPTALDH1A1HTT
SCHEMBL1095819 0.94 RAB9A (0.68) NPC1RAB9AMAPTALDH1A1HTT
SCHEMBL1095463 0.94 RAB9A (0.68) NPC1RAB9AMAPTALDH1A1HTT
SCHEMBL1095940 0.93 RAB9A (0.70) NPC1RAB9AMAPTALDH1A1HTT
SCHEMBL1096443 0.93 RAB9A (0.70) NPC1RAB9AMAPTALDH1A1HTT
SCHEMBL1095942 0.93 RAB9A (0.70) NPC1RAB9AMAPTALDH1A1HTT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 NPC1 2712/4885RAB9A 4401/4885MAPT 2328/4885
US-20090163464-A1 BENZOTHIAZOLE AND BENZOOXAZOLE DERIVATIVES AND METHODS OF USE HRH2, HRH1, HRH4 NPC1 2712/4885RAB9A 4401/4885MAPT 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.