SCHEMBL544713

SCHEMBL544713

O=C(CCC1CCNCC1)Nc1nc2ccc(OS(=O)(=O)c3c(Cl)cccc3Cl)cc2s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
MAPT P10636 2/20 0.48
PKM P14618 1/20 0.48
GSK3A P49840 1/20 0.48
GSK3B P49841 1/20 0.48
CSNK1D P48730 9/20 0.48
NPC1 O15118 3/20 0.46
RAB9A P51151 2/20 0.46
TSHR P16473 1/20 0.46
CASP2 P42575 1/20 0.45
GHSR Q92847 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
MET P08581 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
CDK9 P50750 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43

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
SCHEMBL544222 0.95 SMN1; SMN2 (0.47) SMN1; SMN2MAPTPKMGSK3AGSK3B
SCHEMBL543917 0.89 GHSR (0.47) SMN1; SMN2MAPTPKMGSK3AGSK3B
SCHEMBL545002 0.88 SMN1; SMN2 (0.46) SMN1; SMN2MAPTPKMGSK3AGSK3B
SCHEMBL4398883 0.85 CLK1 (0.53) SMN1; SMN2MAPTPKMNPC1RAB9A
SCHEMBL544666 0.85 MAPT (0.47) SMN1; SMN2MAPTPKMGSK3AGSK3B
SCHEMBL545080 0.83 DRD2 (0.45) SMN1; SMN2MAPTPKMGSK3AGSK3B
SCHEMBL544192 0.82 CASP3 (0.60) SMN1; SMN2MAPTCSNK1DNPC1RAB9A
SCHEMBL544444 0.81 MET (0.54) SMN1; SMN2MAPTNPC1RAB9ATUBB4A
SCHEMBL544131 0.81 SMN1; SMN2 (0.46) SMN1; SMN2MAPTPKMGSK3AGSK3B
SCHEMBL4397038 0.80 ALDH1A1 (0.43) SMN1; SMN2MAPTCSNK1DNPC1RAB9A

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 SMN1; SMN2 4373/4885MAPT 1307/4885PKM 501/4885

“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.