SCHEMBL5318559

SCHEMBL5318559

COc1ccc2ccc(Cl)c(C(O)CC(NCc3ccc4c(c3)NC(=O)CO4)C3CCCNC3)c2n1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.37
HTR1D P28221 2/20 0.37
HTR1B P28222 2/20 0.37
PARP1 P09874 3/20 0.35
THRB P10828 1/20 0.35
KCNH2 Q12809 4/20 0.35
MMP8 P22894 3/20 0.35
MMP13 P45452 3/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
SLC6A4 P31645 1/20 0.34

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
SCHEMBL5436238 0.91 KCNH2 (0.39) HTR1AHTR1DHTR1BKCNH2
SCHEMBL5264962 0.88 PARP1 (0.38) HTR1AHTR1DHTR1BPARP1THRB
SCHEMBL5441013 0.87 KCNH2 (0.47) KCNH2
SCHEMBL5433767 0.86 ATM (0.34)
SCHEMBL5437144 0.81 KCNH2 (0.37) HTR1AHTR1DHTR1BPARP1KCNH2
SCHEMBL5262763 0.81 KCNH2 (0.39) THRBKCNH2DRD2DRD4
SCHEMBL5432469 0.79 KCNH2 (0.42) HTR1AHTR1DHTR1BPARP1THRB
SCHEMBL5432569 0.78 KCNH2 (0.51) KCNH2
SCHEMBL5427576 0.78 KCNH2 (0.36) KCNH2
SCHEMBL5318554 0.77 HTR1A (0.42) HTR1AHTR1DHTR1BPARP1KCNH2

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 HTR1A 4666/4885HTR1D 4684/4885HTR1B 4437/4885

“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.