SCHEMBL793498

SCHEMBL793498

COc1ccccc1-c1nc2ccnc(Cl)c2s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KDM4E B2RXH2 3/20 0.44
TYK2 P29597 2/20 0.43
CYP19A1 P11511 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
HCRTR1 O43613 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
APP P05067 1/20 0.41
HSD17B10 Q99714 2/20 0.41
HPGD P15428 2/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL792714 0.83 F2RL3 (0.41) ALDH1A1TYK2HPGD
SCHEMBL792295 0.81 TYK2 (0.48) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL792876 0.81 TYK2 (0.56) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL793425 0.80 TYK2 (0.44) ALDH1A1NPC1KDM4ETYK2HPGD
SCHEMBL792555 0.78 TYK2 (0.43) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL793929 0.76 TYK2 (0.44) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL791570 0.75 TYK2 (0.46) ALDH1A1TYK2CYP19A1CYP2D6HPGD
SCHEMBL28564716 0.74 CLK1 (0.42) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL9313369 0.73 ALDH1A1 (0.59) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL793142 0.73 TYK2 (0.40) ALDH1A1TYK2MAPTHPGD

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-20140171408-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2014-06-19 US claimed
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 US claimed
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 ALDH1A1 1372/4885MEN1 1285/4885KMT2A 2299/4885
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R ALDH1A1 1372/4885MEN1 1285/4885KMT2A 2299/4885

“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.