SCHEMBL1095979

SCHEMBL1095979

Oc1ccc2nc(N3CCC(N4CCCCC4)C3)sc2c1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 17/20 0.61
AR P10275 1/20 0.55
KCNH2 Q12809 5/20 0.54
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
ALDH1A1 P00352 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL1095975 1.00 HRH3 (0.61) HRH3ARKCNH2NPC1RAB9A
SCHEMBL14925269 0.88 AR (0.53) HRH3ARKCNH2NPC1RAB9A
SCHEMBL1094008 0.86 HRH3 (0.61) HRH3KCNH2NPC1RAB9AALDH1A1
SCHEMBL1096181 0.86 NPC1 (0.66) HRH3KCNH2NPC1RAB9AALDH1A1
SCHEMBL1094011 0.86 HRH3 (0.61) HRH3KCNH2NPC1RAB9AALDH1A1
SCHEMBL1096182 0.86 NPC1 (0.66) HRH3KCNH2NPC1RAB9AALDH1A1
SCHEMBL1094336 0.84 NPC1 (0.67) HRH3KCNH2NPC1RAB9AALDH1A1
SCHEMBL1095437 0.84 NPC1 (0.65) HRH3KCNH2NPC1RAB9AALDH1A1
SCHEMBL22840666 0.84 AR (0.51) HRH3ARNPC1RAB9AALDH1A1
SCHEMBL1096072 0.84 NPC1 (0.65) HRH3KCNH2NPC1RAB9AALDH1A1

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 HRH3 4/4885AR 3127/4885KCNH2 2847/4885
US-20090163464-A1 BENZOTHIAZOLE AND BENZOOXAZOLE DERIVATIVES AND METHODS OF USE HRH2, HRH1, HRH4 HRH3 4/4885AR 3127/4885KCNH2 2847/4885

“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.