Sugi Predict

Sugi Predict / Compounds / SCHEMBL793871

SCHEMBL793871

SCHEMBL793871

O=[N+]([O-])c1cccc(F)c1/C(Cl)=N/c1c(F)cncc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR35 Q9HC97 2/20 0.36
▸ TDP1 Q9NUW8 4/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ MAPT P10636 5/20 0.34
▸ MAPK1 P28482 3/20 0.34
▸ POLB P06746 1/20 0.34
▸ PLAU P00749 1/20 0.33
▸ PIN1 Q13526 1/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ SMN1; SMN2 Q16637 4/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ LMNA P02545 3/20 0.32
▸ HTT P42858 2/20 0.32
▸ HSPB1 P04792 1/20 0.32
▸ NOS1 P29475 2/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32

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
SCHEMBL793872 1.00 GPR35 (0.36) GPR35TDP1L3MBTL1MAPTMAPK1
SCHEMBL792657 0.90 ALDH1A1 (0.39) GPR35TDP1L3MBTL1MAPTMAPK1
SCHEMBL792658 0.90 ALDH1A1 (0.39) GPR35TDP1L3MBTL1MAPTMAPK1
SCHEMBL793010 0.77 JAK2 (0.41) L3MBTL1MAPTRAB9AALDH1A1LMNA
SCHEMBL793011 0.77 JAK2 (0.41) L3MBTL1MAPTRAB9AALDH1A1LMNA
SCHEMBL793272 0.74 LMNA (0.39) MAPTRAB9AALDH1A1LMNAHTT
SCHEMBL793273 0.74 LMNA (0.39) MAPTRAB9AALDH1A1LMNAHTT
SCHEMBL793112 0.74 TDP1 (0.49) GPR35TDP1L3MBTL1MAPTMAPK1
SCHEMBL792691 0.72 LMNA (0.45) TDP1L3MBTL1MAPTPOLBNPC1
SCHEMBL11898796 0.69 JAK2 (0.37) L3MBTL1MAPTRAB9ALMNAHTT

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 GPR35 305/4885TDP1 364/4885L3MBTL1 3602/4885
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R GPR35 305/4885TDP1 364/4885L3MBTL1 3602/4885

“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.