SCHEMBL5316283

SCHEMBL5316283

COc1cnc2ccc(Cl)c(C(O)CN3CCCC(CNCc4ccc5c(c4)OCO5)C3)c2n1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.43
KCNH2 Q12809 6/20 0.43
SLC2A1 P11166 2/20 0.40
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 2/20 0.37
PDE5A O76074 1/20 0.37
MCHR1 Q99705 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL5432619 0.96 KCNH2 (0.48) CXCR4KCNH2SLC2A1
SCHEMBL5436230 0.87 HTR1A (0.40) KCNH2
SCHEMBL5439543 0.86 KCNH2 (0.58) KCNH2SLC2A1
SCHEMBL5427041 0.84 KCNH2 (0.49) CXCR4KCNH2SLC2A1LMNAGAA
SCHEMBL5318205 0.84 KCNH2 (0.54) KCNH2SLC2A1LMNAGAAMCHR1
SCHEMBL5436003 0.83 KCNH2 (0.48) KCNH2SLC2A1
SCHEMBL5427572 0.83 KCNH2 (0.35) KCNH2
SCHEMBL5432555 0.81 KCNH2 (0.48) KCNH2
SCHEMBL5263439 0.80 KCNH2 (0.40) KCNH2SLC2A1
SCHEMBL5374313 0.80 KCNH2 (0.54) KCNH2SLC2A1LMNAPDE5AMCHR1

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 5 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
US-20070244103-A1 Novel Compounds Having an Anti-Bacterial Activity MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2007-10-18 US disclosed
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 CXCR4 4203/4885KCNH2 3363/4885SLC2A1 4714/4885

“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.