SCHEMBL1094085

SCHEMBL1094085

OC1CCN(c2nc3ccc(Cl)cc3s2)C1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.63
RAB9A P51151 7/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
MAPT P10636 2/20 0.57
CNR2 P34972 1/20 0.51
POLB P06746 1/20 0.48
HCRTR1 O43613 3/20 0.47
HCRTR2 O43614 3/20 0.47
MITF O75030 1/20 0.47
TP53 P04637 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
PPARG P37231 3/20 0.47
PPARD Q03181 3/20 0.47
PPARA Q07869 2/20 0.47

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
SCHEMBL1094083 1.00 NPC1 (0.63) NPC1RAB9ASMN1; SMN2MAPTCNR2
SCHEMBL333717 0.92 NPC1 (0.70) NPC1RAB9ASMN1; SMN2MAPTCNR2
SCHEMBL1094987 0.84 NPC1 (0.47) NPC1RAB9ASMN1; SMN2MAPTMITF
SCHEMBL1094984 0.84 NPC1 (0.47) NPC1RAB9ASMN1; SMN2MAPTMITF
SCHEMBL1095922 0.84 RAB9A (0.64) NPC1RAB9ASMN1; SMN2MAPTMITF
SCHEMBL1095926 0.84 RAB9A (0.64) NPC1RAB9ASMN1; SMN2MAPTMITF
SCHEMBL334276 0.84 NPC1 (0.63) NPC1RAB9ASMN1; SMN2MAPTCNR2
SCHEMBL334720 0.81 NPC1 (0.70) NPC1RAB9ASMN1; SMN2MAPTCNR2
SCHEMBL29293351 0.81 NPC1 (0.70) NPC1RAB9ASMN1; SMN2MAPTCNR2
SCHEMBL9030935 0.81 NPC1 (0.56) NPC1RAB9ASMN1; SMN2MAPTPOLB

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-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
EP-2237779-A1 BENZOTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND METHODS OF USE Abbott Laboratories (US) 2010-10-13 EP disclosed
WO-2009085945-A1 BENZOTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2009-07-09 WO 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 4401/4885SMN1; SMN2 4187/4885
US-20090163464-A1 BENZOTHIAZOLE AND BENZOOXAZOLE DERIVATIVES AND METHODS OF USE HRH2, HRH1, HRH4 NPC1 2712/4885RAB9A 4401/4885SMN1; SMN2 4187/4885

“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.