SCHEMBL1095697

SCHEMBL1095697

CCN(C)C(=O)c1ccc2nc(N3CC[C@@H](N4CCCCC4)C3)sc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.49
NPC1 O15118 8/20 0.49
RAB9A P51151 7/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
TP53 P04637 2/20 0.49
MITF O75030 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
POLB P06746 1/20 0.48
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD17B10 Q99714 1/20 0.48
HRH3 Q9Y5N1 4/20 0.47
MAPK1 P28482 1/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 2/20 0.46

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
SCHEMBL1095699 1.00 GAA (0.49) GAANPC1RAB9ASMN1; SMN2TP53
SCHEMBL1094496 0.91 HRH3 (0.53) GAANPC1RAB9ASMN1; SMN2TP53
SCHEMBL1094495 0.91 HRH3 (0.53) GAANPC1RAB9ASMN1; SMN2TP53
SCHEMBL1095437 0.84 NPC1 (0.65) NPC1RAB9ASMN1; SMN2TP53MITF
SCHEMBL1096072 0.84 NPC1 (0.65) NPC1RAB9ASMN1; SMN2TP53MITF
SCHEMBL1094905 0.84 RAB9A (0.59) GAANPC1RAB9ASMN1; SMN2POLB
SCHEMBL1094904 0.84 RAB9A (0.59) GAANPC1RAB9ASMN1; SMN2POLB
SCHEMBL1094720 0.84 SMN1; SMN2 (0.58) GAANPC1RAB9ASMN1; SMN2TP53
SCHEMBL1094723 0.84 SMN1; SMN2 (0.58) GAANPC1RAB9ASMN1; SMN2TP53
SCHEMBL1095352 0.81 SMN1; SMN2 (0.72) GAANPC1RAB9ASMN1; SMN2TP53

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 GAA 1003/4885NPC1 2712/4885RAB9A 4401/4885
US-20090163464-A1 BENZOTHIAZOLE AND BENZOOXAZOLE DERIVATIVES AND METHODS OF USE HRH2, HRH1, HRH4 GAA 1003/4885NPC1 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.