SCHEMBL544112

SCHEMBL544112

Nc1cc(Cl)cc(Cl)c1S(=O)(=O)Oc1ccc2nc(NC(=O)NCCN3CCOCC3)sc2c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 3/20 0.52
AURKB Q96GD4 6/20 0.49
MET P08581 7/20 0.48
CYP3A4 P08684 5/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
CLK1 P49759 1/20 0.47
EPHX2 P34913 1/20 0.46
LMNA P02545 1/20 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
SCHEMBL543401 0.89 ABL1 (0.58) ABL1AURKBMETCYP3A4KMT2A
SCHEMBL544180 0.85 ABL1 (0.56) ABL1AURKBMETCYP3A4KMT2A
SCHEMBL543975 0.85 ABL1 (0.60) ABL1AURKBMETCYP3A4KMT2A
SCHEMBL543775 0.84 ABL1 (0.53) ABL1AURKBMETCYP3A4KMT2A
SCHEMBL544820 0.84 ABL1 (0.58) ABL1AURKBMETCYP3A4KMT2A
SCHEMBL544033 0.81 GHSR (0.52) ABL1METCYP3A4KMT2AMEN1
SCHEMBL544405 0.81 ABL1 (0.52) ABL1AURKBMETCYP3A4KMT2A
SCHEMBL543982 0.81 GHSR (0.51) ABL1METKMT2AMEN1POLB
SCHEMBL543827 0.81 GHSR (0.51) ABL1METKMT2AMEN1POLB
SCHEMBL544204 0.80 ABL1 (0.58) ABL1POLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8110571-B2 Tyrosine kinase inhibitors; antiproliferation agents; metabolism diseases; antiallergens; central nervous system disorders; vision and skin disorders; antiarthritic agents AVENTIS PHARMA S.A. (FR) 2012-02-07 US disclosed
US-20080194555-A1 Novel Benzimidazole and Benzothiazole Derivatives, Method for Preparing Same, Use Thereof as Drugs, Pharmaceutical Compositions and Novel Use Especially as c-MET Inhibitors AVENTIS PHARMA S.A. (FR) 2008-08-14 US 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-20080194555-A1 Novel Benzimidazole and Benzothiazole Derivatives, Method for Preparing Same, Use Thereof as Drugs, Pharmaceutical Compositions and Novel Use Especially as c-MET Inhibitors MET, KIT, MERTK ABL1 6/4885AURKB 555/4885MET 1/4885

“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.