SCHEMBL544181

SCHEMBL544181

O=C(NCCCN1CCN(Cc2ccccc2)CC1)Nc1nc2ccc(OS(=O)(=O)c3c(Cl)cccc3Cl)cc2s1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 7/20 0.48
HCAR1 Q9BXC0 1/20 0.46
PKM P14618 2/20 0.45
ABL1 P00519 1/20 0.45
DRD2 P14416 1/20 0.45
DRD3 P35462 1/20 0.45
MAPT P10636 1/20 0.45
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
AURKB Q96GD4 1/20 0.44

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
SCHEMBL544350 0.95 ABL1 (0.50) GHSRHCAR1PKMABL1MAPT
SCHEMBL544599 0.92 GHSR (0.55) GHSRHCAR1ABL1DRD2DRD3
SCHEMBL544109 0.92 GHSR (0.51) GHSRPKMABL1DRD2DRD3
SCHEMBL543775 0.89 ABL1 (0.53) ABL1MAPTSMN1; SMN2AURKB
SCHEMBL544681 0.88 CHRM4 (0.51)
SCHEMBL545077 0.87 ABL1 (0.49) GHSRPKMABL1DRD2DRD3
SCHEMBL544204 0.87 ABL1 (0.58) GHSRHCAR1PKMABL1MAPT
SCHEMBL544033 0.87 GHSR (0.52) GHSRPKMABL1MAPTGSK3A
SCHEMBL543982 0.86 GHSR (0.51) GHSRPKMABL1MAPTGSK3A
SCHEMBL543827 0.86 GHSR (0.51) GHSRPKMABL1MAPTGSK3A

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 4 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 claimed
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 claimed
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 GHSR 1821/4885HCAR1 3659/4885PKM 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.