SCHEMBL1095437

SCHEMBL1095437

O=C(O)c1ccc2nc(N3CCC(N4CCCCC4)C3)sc2c1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.65
RAB9A P51151 4/20 0.65
SMN1; SMN2 Q16637 4/20 0.65
MITF O75030 1/20 0.65
TP53 P04637 1/20 0.65
NFKB1 P19838 1/20 0.65
NFKB2 Q00653 1/20 0.65
RELA Q04206 1/20 0.65
MAPK1 P28482 1/20 0.53
HRH3 Q9Y5N1 11/20 0.51
KCNH2 Q12809 4/20 0.50
HPGD P15428 2/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49
ALDH1A1 P00352 1/20 0.48
MAPT P10636 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
SCHEMBL1096072 1.00 NPC1 (0.65) NPC1RAB9ASMN1; SMN2MITFTP53
SCHEMBL1094723 0.89 SMN1; SMN2 (0.58) NPC1RAB9ASMN1; SMN2MITFTP53
SCHEMBL1094720 0.89 SMN1; SMN2 (0.58) NPC1RAB9ASMN1; SMN2MITFTP53
SCHEMBL1094496 0.88 HRH3 (0.53) NPC1RAB9ASMN1; SMN2MITFTP53
SCHEMBL1094495 0.88 HRH3 (0.53) NPC1RAB9ASMN1; SMN2MITFTP53
SCHEMBL1095351 0.86 SMN1; SMN2 (0.72) NPC1RAB9ASMN1; SMN2MITFTP53
SCHEMBL1095352 0.86 SMN1; SMN2 (0.72) NPC1RAB9ASMN1; SMN2MITFTP53
SCHEMBL1096111 0.85 HPGD (0.70) NPC1RAB9ASMN1; SMN2TP53MAPK1
SCHEMBL1094905 0.85 RAB9A (0.59) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL1095612 0.85 MAPK1 (0.59) NPC1RAB9ASMN1; SMN2MITFTP53

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 4401/4885SMN1; 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.