SCHEMBL5262771

SCHEMBL5262771

COc1cnc2ccc(Cl)c(C(O)CN3C4CCC3CC(N)C4)c2n1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 14/20 0.47
SLC18A3 Q16572 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
KCNH2 Q12809 3/20 0.37

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
SCHEMBL5440972 0.92 PTPN11 (0.45) PTPN11SLC18A3SIGMAR1KCNH2
SCHEMBL5433751 0.83 KMT2A (0.42) PTPN11SLC18A3SIGMAR1KCNH2
SCHEMBL5266439 0.82 PTPN11 (0.42) PTPN11SLC18A3SIGMAR1KCNH2
SCHEMBL5432605 0.79 KCNH2 (0.49) KCNH2
SCHEMBL5266043 0.79 KCNH2 (0.62) KCNH2
SCHEMBL5266886 0.77 KCNH2 (0.48) PTPN11KCNH2
SCHEMBL5432729 0.77 KCNH2 (0.39) SLC18A3SIGMAR1KCNH2
SCHEMBL5432490 0.77 PTPN11 (0.35) PTPN11KCNH2
SCHEMBL5744809 0.77 KCNH2 (0.50) PTPN11KCNH2
SCHEMBL5744804 0.77 KCNH2 (0.50) PTPN11KCNH2

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
US-20070244103-A1 Novel Compounds Having an Anti-Bacterial Activity MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2007-10-18 US disclosed
EP-1781650-A1 NOVEL COMPOUNDS HAVING AN ANTI-BACTERIAL ACTIVITY Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2007-05-09 EP disclosed
WO-2006021448-A1 NOVEL COMPOUNDS HAVING AN ANTI-BACTERIAL ACTIVITY Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) 2006-03-02 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-20070244103-A1 Novel Compounds Having an Anti-Bacterial Activity TOP1, TOP2A, TOP2B PTPN11 4460/4885SLC18A3 4605/4885SIGMAR1 1453/4885

“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.