SCHEMBL1095352

SCHEMBL1095352

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

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.72
NPC1 O15118 9/20 0.53
RAB9A P51151 9/20 0.53
ALDH1A1 P00352 2/20 0.51
MITF O75030 1/20 0.51
TP53 P04637 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
HRH3 Q9Y5N1 2/20 0.51
HPGD P15428 1/20 0.51
PKM P14618 1/20 0.50
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
GAA P10253 1/20 0.49

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
SCHEMBL1095351 1.00 SMN1; SMN2 (0.72) SMN1; SMN2NPC1RAB9AALDH1A1MITF
SCHEMBL1094720 0.91 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9AALDH1A1MITF
SCHEMBL1094723 0.91 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9AALDH1A1MITF
SCHEMBL1094905 0.88 RAB9A (0.59) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL1094904 0.88 RAB9A (0.59) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL1095437 0.86 NPC1 (0.65) SMN1; SMN2NPC1RAB9AALDH1A1MITF
SCHEMBL1096072 0.86 NPC1 (0.65) SMN1; SMN2NPC1RAB9AALDH1A1MITF
SCHEMBL1094332 0.84 RAB9A (0.56) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL1094328 0.84 RAB9A (0.56) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL1094496 0.84 HRH3 (0.53) SMN1; SMN2NPC1RAB9AALDH1A1MITF

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 SMN1; SMN2 4187/4885NPC1 2712/4885RAB9A 4401/4885
US-20090163464-A1 BENZOTHIAZOLE AND BENZOOXAZOLE DERIVATIVES AND METHODS OF USE HRH2, HRH1, HRH4 SMN1; SMN2 4187/4885NPC1 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.