SCHEMBL544976

SCHEMBL544976

CC1CCCC(C)N1CCNC(=O)Nc1nc2ccc(OS(=O)(=O)c3c(Cl)cccc3Cl)cc2s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 3/20 0.49
LCK P06239 1/20 0.47
KMT2A Q03164 3/20 0.47
MAPT P10636 7/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
PKM P14618 2/20 0.46
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
HPGD P15428 1/20 0.44
CSNK1D P48730 1/20 0.44
HTT P42858 2/20 0.43
LMNA P02545 2/20 0.43
ABL1 P00519 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
CLK1 P49759 1/20 0.43
MEN1 O00255 2/20 0.42

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
SCHEMBL544033 0.86 GHSR (0.52) GHSRLCKKMT2AMAPTSMN1; SMN2
SCHEMBL543827 0.86 GHSR (0.51) GHSRLCKKMT2AMAPTSMN1; SMN2
SCHEMBL543982 0.86 GHSR (0.51) GHSRLCKKMT2AMAPTSMN1; SMN2
SCHEMBL544204 0.85 ABL1 (0.58) GHSRMAPTSMN1; SMN2PKMGSK3A
SCHEMBL544433 0.85 LCK (0.66) GHSRLCKKMT2AMAPTSMN1; SMN2
SCHEMBL544109 0.83 GHSR (0.51) GHSRLCKMAPTSMN1; SMN2PKM
SCHEMBL544665 0.83 GHSR (0.58) GHSRLCKKMT2AMAPTSMN1; SMN2
SCHEMBL543401 0.83 ABL1 (0.58) KMT2AMAPTHPGDHTTLMNA
SCHEMBL544509 0.83 ABL1 (0.57) GHSRLCKMAPTSMN1; SMN2PKM
SCHEMBL544599 0.82 GHSR (0.55) GHSRABL1CYP1A2POLBALDH1A1

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 1821/4885LCK 503/4885KMT2A 821/4885

“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.