SCHEMBL9105065

SCHEMBL9105065

Brc1ccc(-c2nn[c]s2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA4 P22748 1/20 0.38
CA5A P35218 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
ALDH1A1 P00352 2/20 0.34
MAPK1 P28482 1/20 0.34
ATM Q13315 1/20 0.34
APP P05067 3/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
DGAT1 O75907 1/20 0.33
CYP2A6 P11509 1/20 0.33
CYP19A1 P11511 1/20 0.33
MAPT P10636 2/20 0.32

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
SCHEMBL2428375 0.79 KDM4E (0.46) RAB9ASMN1; SMN2KDM4ELMNAALDH1A1
SCHEMBL15618126 0.70 CA1 (0.56) CA1CA2CA4CA5ACA5B
SCHEMBL13801080 0.67 APP (0.44) CA1CA2CA4CA5ACA5B
SCHEMBL4071808 0.64 APP (0.42) CA1CA2CA4CA5ACA5B
SCHEMBL15739862 0.64 RAB9A (0.42) CA1CA2CA4CA5ACA5B
SCHEMBL28710171 0.64 ALDH1A1 (0.58) CA1CA2CA4CA5ACA5B
SCHEMBL11091755 0.62 KDM4E (0.50) CA1CA2CA4CA5ACA5B
SCHEMBL5539570 0.62 RAB9A (0.41) CA1CA2CA4CA5ACA5B
SCHEMBL17184845 0.62 CA1 (0.49) CA1CA2CA4CA5ACA5B
SCHEMBL2097434 0.62 XDH (0.35) RAB9ASMN1; SMN2KDM4ELMNAALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2464368-A1 CATHEPSIN C INHIBITORS Glaxo Group Limited (GB) 2012-06-20 EP disclosed
US-20120142668-A1 CATHEPSIN C INHIBITORS GLAXO GROUP LIMITED (GB) 2012-06-07 US disclosed
CN-101861330-A Polypeptide compound ASTELLAS PHARMA INC 2010-10-13 CN 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-20120142668-A1 CATHEPSIN C INHIBITORS CTSE, CTSB, CTSS CA1 1279/4885CA2 359/4885CA4 747/4885

“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.