SCHEMBL792557

SCHEMBL792557

N#Cc1cc(F)cc(Cl)c1Br

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 3/20 0.35
KHK P50053 1/20 0.35
CYP11B2 P19099 5/20 0.34
EPAS1 Q99814 3/20 0.34
ALDH1A1 P00352 1/20 0.33
PGK1 P00558 1/20 0.32
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
AR P10275 1/20 0.31
VCAM1 P19320 1/20 0.31
CYP11B1 P15538 3/20 0.30
VEGFA P15692 1/20 0.30

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
SCHEMBL24868763 0.79 PGK1 (0.31) PGK1
SCHEMBL7922013 0.78 TRPV4 (0.38) TRPV4KHKCYP11B2EPAS1ALDH1A1
SCHEMBL29054114 0.78 GPR35 (0.41) TRPV4ALDH1A1ESR1ESR2VCAM1
SCHEMBL30107963 0.78 TRPV4 (0.38) TRPV4KHKCYP11B2EPAS1ALDH1A1
SCHEMBL9844450 0.78 TRPV4 (0.38) TRPV4KHKCYP11B2EPAS1ALDH1A1
SCHEMBL2651893 0.78 TRPV4 (0.39) TRPV4KHKCYP11B2ESR1ESR2
SCHEMBL7950256 0.77 IDO1 (0.32) EPAS1
SCHEMBL13748821 0.76 AR (0.36) TRPV4KHKCYP11B2EPAS1ALDH1A1
SCHEMBL14744340 0.75 CYP3A4 (0.41) TRPV4KHKALDH1A1VCAM1
SCHEMBL9447114 0.75 TRPV4 (0.35) TRPV4KHKCYP11B2ALDH1A1ESR1

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 TRPV4 3624/4885KHK 3068/4885CYP11B2 74/4885
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R TRPV4 3624/4885KHK 3068/4885CYP11B2 74/4885

“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.