SCHEMBL544557

SCHEMBL544557

COC(=O)Nc1nc2ccc(OC(=O)OC)cc2s1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.68
RAB9A P51151 9/20 0.66
NPC1 O15118 8/20 0.66
SMN1; SMN2 Q16637 5/20 0.66
DYRK1A Q13627 2/20 0.66
HTT P42858 2/20 0.66
CYP1A2 P05177 1/20 0.66
CYP3A4 P08684 1/20 0.66
CYP2C19 P33261 1/20 0.66
ATAD2 Q6PL18 1/20 0.62
TSHR P16473 2/20 0.59
SCD O00767 5/20 0.58
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
CASP2 P42575 1/20 0.57
MAPT P10636 2/20 0.55
POLB P06746 2/20 0.55
ALDH1A1 P00352 2/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55

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
SCHEMBL10170615 0.91 DYRK1A (0.80) RAB9ANPC1SMN1; SMN2DYRK1AHTT
SCHEMBL544372 0.90 LMNA (0.68) LMNARAB9ANPC1SMN1; SMN2DYRK1A
SCHEMBL4402284 0.83 CA2 (0.61) LMNARAB9ANPC1SMN1; SMN2DYRK1A
SCHEMBL15271353 0.82 DYRK1A (0.80) LMNARAB9ANPC1SMN1; SMN2DYRK1A
Tioxidazole SCHEMBL23382 0.81 LMNA (1.00) LMNARAB9ANPC1SMN1; SMN2DYRK1A
SCHEMBL14375445 0.81 SCD (0.66) LMNARAB9ANPC1SMN1; SMN2DYRK1A
Tioxidazole SCHEMBL1033860 0.81 LMNA (1.00) LMNARAB9ANPC1SMN1; SMN2DYRK1A
SCHEMBL14113317 0.81 DYRK1A (0.74) LMNARAB9ANPC1SMN1; SMN2DYRK1A
Tioxidazole SCHEMBL3053813 0.80 LMNA (0.98) LMNARAB9ANPC1SMN1; SMN2DYRK1A
SCHEMBL16747427 0.80 RAB9A (0.71) LMNARAB9ANPC1SMN1; SMN2DYRK1A

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 LMNA 4033/4885RAB9A 3640/4885NPC1 508/4885

“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.