SCHEMBL3719092

SCHEMBL3719092

Clc1nnc2ccc(OC3COC3)nn12

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 10/20 0.47
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HSD17B10 Q99714 2/20 0.41
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KCNH2 Q12809 1/20 0.33
MKNK1 Q9BUB5 3/20 0.33
PIM1 P11309 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL3721747 0.89 MALT1 (0.47) MALT1KDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL3724867 0.84 MALT1 (0.54) MALT1KDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL3723507 0.82 MALT1 (0.53) MALT1KDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL2764332 0.82 MALT1 (0.53) MALT1KDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL3726803 0.78 MALT1 (0.49) MALT1KDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL3721446 0.76 MALT1 (0.45) MALT1KDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL3721449 0.76 MALT1 (0.45) MALT1KDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL2763151 0.73 KDM4E (0.59) MALT1KDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL2764283 0.70 KDM4E (0.43) MALT1KDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL25318985 0.69 CHRNB2 (0.37) ALDH1A1KMT2AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165326-A1 DERIVATIVES OF 6-(6-SUBSTITUTED-TRIAZOLOPYRIDAZINE-SULFANYL) 5-FLUORO BENZOTHIAZOLES AND 5-FLUORO BENZIMIDAZOLES, PREPARATION THEREOF, USE THEREOF AS DRUGS, AND USE THEREOF AS MET INHIBITORS SANOFI (FR) 2012-06-28 US disclosed
EP-2393793-A1 DERIVATIVES OF 6-(6-SUBSTITUTED-TRIAZOLOPYRIDAZINE-SULFANYL) 5-FLUORO-BENZOTHIAZOLES AND 5-FLUORO-BENZIMIDAZOLES, PREPARATION THEREOF, USE THEREOF AS DRUGS, AND USE THEREOF AS MET INHIBITORS SANOFI (FR) 2011-12-14 EP disclosed
WO-2010089509-A1 DERIVATIVES OF 6-(6-SUBSTITUTED-TRIAZOLOPYRIDAZINE-SULFANYL) 5-FLUORO-BENZOTHIAZOLES AND 5-FLUORO-BENZIMIDAZOLES, PREPARATION THEREOF, USE THEREOF AS DRUGS, AND USE THEREOF AS MET INHIBITORS SANOFI-AVENTIS (FR) 2010-08-12 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 (1 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-20120165326-A1 DERIVATIVES OF 6-(6-SUBSTITUTED-TRIAZOLOPYRIDAZINE-SULFANYL) 5-FLUORO BENZOTHIAZOLES AND 5-FLUORO BENZIMIDAZOLES, PREPARATION THEREOF, USE THEREOF AS DRUGS, AND USE THEREOF AS MET INHIBITORS MET, NR4A1, NR1I3 MALT1 1245/4885KDM4E 2085/4885ALDH1A1 1999/4885

“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.