SCHEMBL5512836

SCHEMBL5512836

COB(C)Oc1ccc(C)nc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.37
▸ CHRNB2 P17787 4/20 0.36
▸ CHRNA4 P43681 4/20 0.36
▸ MAPT P10636 2/20 0.36
▸ CHRNB1 P11230 1/20 0.36
▸ CHRNB4 P30926 1/20 0.36
▸ CHRNA3 P32297 1/20 0.36
▸ CHRNB3 Q05901 1/20 0.36
▸ GRM5 P41594 1/20 0.36
▸ MAP4K4 O95819 1/20 0.34
▸ TGFBR1 P36897 1/20 0.33
▸ ADRA2A P08913 1/20 0.32
▸ ADRA2B P18089 1/20 0.32
▸ ADRA2C P18825 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2A6 P11509 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL5424020 0.76 KMT2A (0.42) KMT2ACHRNB2CHRNA4MAPTCHRNB1
SCHEMBL435691 0.74 — —
SCHEMBL9544209 0.71 CA12 (0.43) KMT2ACHRNB2CHRNA4MAPTCHRNB1
SCHEMBL18633313 0.69 — —
SCHEMBL26157832 0.69 — —
SCHEMBL6319868 0.69 — —
SCHEMBL103005 0.68 CHRNB2 (0.44) KMT2ACHRNB2CHRNA4MAPTCHRNB1
SCHEMBL11411731 0.68 LTA4H (0.50) KMT2AMAP4K4TGFBR1
SCHEMBL9517194 0.68 KMT2A (0.54) KMT2AMAPTGRM5CYP1A2HDAC1
SCHEMBL904562 0.67 KMT2A (0.41) KMT2ACHRNB2CHRNA4MAPTCHRNB1

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-7279478-B2 Cathepsin cysteine protease inhibitors MERCK FROSST CANADA & CO. (CA) 2007-10-09 — — US disclosed
US-20060122268-A1 Cathepsin cysteine protease inhibitors MERCK CANADA INC. (CA) 2006-06-08 — — US disclosed
EP-1537074-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA INC. (CA) 2005-06-08 — — EP disclosed
WO-2004022526-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA & CO. (CA) 2004-03-18 — — WO 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-20060122268-A1 Cathepsin cysteine protease inhibitors CTSB, CTSS, CTSK KMT2A 3763/4885CHRNB2 4757/4885CHRNA4 4878/4885

“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.

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