SCHEMBL544033

SCHEMBL544033

O=C(NCCN1CCCC1)Nc1nc2ccc(OS(=O)(=O)c3c(Cl)cccc3Cl)cc2s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 6/20 0.52
ABL1 P00519 5/20 0.49
MAPT P10636 3/20 0.47
PKM P14618 1/20 0.47
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LCK P06239 1/20 0.47
MET P08581 2/20 0.46
TUBB4A P04350 1/20 0.46
TUBB P07437 1/20 0.46
TUBA3C P0DPH7 1/20 0.46
CDK9 P50750 1/20 0.46
TUBA1B P68363 1/20 0.46
TUBA4A P68366 1/20 0.46
TUBB4B P68371 1/20 0.46
TUBB3 Q13509 1/20 0.46
TUBB2A Q13885 1/20 0.46
TUBB8 Q3ZCM7 1/20 0.46
TUBA3E Q6PEY2 1/20 0.46

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
SCHEMBL543827 0.99 GHSR (0.51) GHSRABL1MAPTPKMGSK3A
SCHEMBL543982 0.99 GHSR (0.51) GHSRABL1MAPTPKMGSK3A
SCHEMBL544109 0.95 GHSR (0.51) GHSRABL1MAPTPKMGSK3A
SCHEMBL544204 0.94 ABL1 (0.58) GHSRABL1MAPTPKMGSK3A
SCHEMBL543401 0.93 ABL1 (0.58) ABL1MAPTMETALDH1A1LMNA
SCHEMBL544509 0.93 ABL1 (0.57) GHSRABL1MAPTPKMGSK3A
SCHEMBL545077 0.92 ABL1 (0.49) GHSRABL1MAPTPKMGSK3A
SCHEMBL544350 0.91 ABL1 (0.50) GHSRABL1MAPTPKMGSK3A
SCHEMBL544599 0.89 GHSR (0.55) GHSRABL1ALDH1A1POLBTP53
SCHEMBL543775 0.88 ABL1 (0.53) ABL1MAPTSMN1; SMN2METALDH1A1

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 1821/4885ABL1 6/4885MAPT 1307/4885

“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.