SCHEMBL793414

SCHEMBL793414

CCOC(=O)c1csc(-c2c(F)cccc2Cl)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.53
MAPT P10636 6/20 0.53
NPC1 O15118 6/20 0.53
POLB P06746 1/20 0.52
PKM P14618 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
ALDH1A1 P00352 3/20 0.50
GAA P10253 2/20 0.49
KMT2A Q03164 3/20 0.47
MEN1 O00255 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
CYP1A2 P05177 2/20 0.47
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TP53 P04637 1/20 0.45
HTT P42858 1/20 0.45
PIM1 P11309 2/20 0.45
PIM3 Q86V86 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL318924 0.91 RAB9A (0.57) RAB9AMAPTNPC1POLBPKM
SCHEMBL793051 0.91 RAB9A (0.58) RAB9AMAPTNPC1POLBPKM
SCHEMBL318683 0.81 RAB9A (0.55) RAB9AMAPTNPC1POLBPKM
SCHEMBL3535303 0.81 PANK3 (0.57) RAB9AMAPTNPC1POLBPKM
SCHEMBL5896297 0.81 RAB9A (0.61) RAB9AMAPTNPC1POLBPKM
SCHEMBL2693587 0.81 PIM1 (0.51) ALDH1A1PIM1PIM3SMN1; SMN2PIM2
SCHEMBL26319815 0.81 RAB9A (0.60) RAB9AMAPTNPC1POLBPKM
SCHEMBL25413188 0.79 RAB9A (0.53) RAB9AMAPTNPC1POLBPKM
SCHEMBL15871928 0.79 RAB9A (0.58) RAB9AMAPTNPC1POLBPKM
SCHEMBL25413056 0.78 RAB9A (0.44) RAB9AMAPTNPC1POLBPKM

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-20140171408-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2014-06-19 US disclosed
US-8697708-B2 Azabenzothiazole compounds, compositions and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2014-04-15 US disclosed
EP-2616072-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F.HOFFMANN-LA ROCHE AG (CH) 2013-07-24 EP disclosed
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 US disclosed
WO-2012035039-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-03-22 WO 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-20140171408-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R RAB9A 2858/4885MAPT 71/4885NPC1 1936/4885
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R RAB9A 2858/4885MAPT 71/4885NPC1 1936/4885

“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.