SCHEMBL1744058

SCHEMBL1744058

c1ccc2sc(C3CCC3)nc2c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.73
MEN1 O00255 2/20 0.73
ALDH1A1 P00352 5/20 0.54
GAA P10253 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
UBE2M P61081 10/20 0.52
DCUN1D1 Q96GG9 10/20 0.52
LMNA P02545 4/20 0.52
TP53 P04637 3/20 0.52
POLB P06746 1/20 0.52
MAPK1 P28482 1/20 0.52
TSHR P16473 1/20 0.52
HTT P42858 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HSD17B10 Q99714 1/20 0.52
DRD2 P14416 1/20 0.51
DRD4 P21917 1/20 0.51
GRM2 Q14416 1/20 0.51
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 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
SCHEMBL5637621 0.96 KMT2A (0.73) KMT2AMEN1ALDH1A1GAASMN1; SMN2
SCHEMBL30702394 0.95 KMT2A (0.71) KMT2AMEN1ALDH1A1GAASMN1; SMN2
SCHEMBL28919884 0.95 KMT2A (0.71) KMT2AMEN1ALDH1A1GAASMN1; SMN2
SCHEMBL816962 0.95 KMT2A (0.71) KMT2AMEN1ALDH1A1GAASMN1; SMN2
SCHEMBL9533470 0.92 KMT2A (0.77) KMT2AMEN1ALDH1A1GAASMN1; SMN2
Sulfuric Acid SCHEMBL11859878 0.86 KMT2A (0.60) KMT2AMEN1ALDH1A1GAASMN1; SMN2
SCHEMBL18334796 0.86 KMT2A (0.60) KMT2AMEN1ALDH1A1GAASMN1; SMN2
SCHEMBL1588423 0.86 KMT2A (0.69) KMT2AMEN1ALDH1A1GAASMN1; SMN2
SCHEMBL30093450 0.84 KMT2A (0.67) KMT2AMEN1ALDH1A1GAASMN1; SMN2
SCHEMBL2710382 0.84 KMT2A (1.00) KMT2AMEN1ALDH1A1GAASMN1; SMN2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8592467-B2 Benzothiazole cyclobutyl amine derivatives ABBVIE INC. (US) 2013-11-26 US disclosed
EP-2386556-B1 Benzothiazole cyclobutyl amine derivatives and their use as histamine-3 receptors ligands ABBVIE INC (US) 2013-10-23 EP disclosed
EP-1926729-B1 BENZOTHIAZOLE CYCLOBUTYL AMINE DERIVATIVES AND THEIR USE AS HISTAMINE-3 RECEPTORS LIGANDS ABBOTT LAB (US) 2011-12-21 EP disclosed
EP-2386556-A1 Benzothiazole cyclobutyl amine derivatives and their use as histamine-3 receptors ligands Abbott Laboratories (US) 2011-11-16 EP disclosed
US-20110254413-A1 CASING OF ELECTRONIC DEVICE AND MANUFACTURING METHOD THEREOF ASUSTEK COMPUTER INC. (TW) 2011-10-20 US disclosed
US-20090326222-A1 BENZOTHIAZOLE CYCLOBUTYL AMINE DERIVATIVES ABBOTT LABORATORIES (US) 2009-12-31 US disclosed
US-7576110-B2 Benzothiazole cyclobutyl amine derivatives ABBOTT LABORATORIES (US) 2009-08-18 US disclosed
EP-1926729-A1 BENZOTHIAZOLE CYCLOBUTYL AMINE DERIVATIVES AND THEIR USE AS HISTAMINE-3 RECEPTORS LIGANDS ABBOTT LABORATORIES (US) 2008-06-04 EP disclosed
WO-2007038074-A1 BENZOTHIAZOLE CYCLOBUTYL AMINE DERIVATIVES AND THEIR USE AS HISTAMINE-3 RECEPTORS LIGANDS ABBOTT LABORATORIES (US) 2007-04-05 WO disclosed
US-20070066588-A1 Benzothiazole cyclobutyl amine derivatives ABBVIE INC. 2007-03-22 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-20090326222-A1 BENZOTHIAZOLE CYCLOBUTYL AMINE DERIVATIVES HRH2, HRH4, HRH1 KMT2A 2625/4885MEN1 1834/4885ALDH1A1 926/4885
US-20070066588-A1 Benzothiazole cyclobutyl amine derivatives HRH2, HRH4, HRH1 KMT2A 2625/4885MEN1 1834/4885ALDH1A1 926/4885

“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.