SCHEMBL5318554

SCHEMBL5318554

COc1ccc2ccc(Cl)c(C(O)CN3CCCC(CNCc4ccc5c(c4)NC(=O)CO5)C3)c2n1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.42
HTR1D P28221 6/20 0.42
HTR1B P28222 6/20 0.42
DRD2 P14416 3/20 0.39
DRD4 P21917 2/20 0.39
PARP1 P09874 2/20 0.38
SLC6A4 P31645 2/20 0.37
MMP8 P22894 3/20 0.37
MMP13 P45452 3/20 0.37
KCNH2 Q12809 1/20 0.36
USP30 Q70CQ3 1/20 0.36
ADRB1 P08588 1/20 0.36
HTR2A P28223 1/20 0.36
HTR7 P34969 1/20 0.36
DRD3 P35462 1/20 0.36
HTR2B P41595 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
SCHEMBL5436230 0.91 HTR1A (0.40) HTR1AHTR1DHTR1BDRD2DRD4
SCHEMBL5264956 0.89 HTR1A (0.42) HTR1AHTR1DHTR1BDRD2DRD4
SCHEMBL5441005 0.87 KCNH2 (0.47) KCNH2
SCHEMBL5433763 0.87 ALDH1A1 (0.34)
SCHEMBL5264983 0.85 KCNH2 (0.48) HTR1AHTR1DHTR1BKCNH2
SCHEMBL5437133 0.82 HTR1A (0.44) HTR1AHTR1DHTR1BDRD2DRD4
SCHEMBL5262758 0.81 HTR1A (0.45) HTR1AHTR1DHTR1BDRD2DRD4
SCHEMBL5432469 0.81 KCNH2 (0.42) HTR1AHTR1DHTR1BDRD2DRD4
SCHEMBL5432555 0.79 KCNH2 (0.48) KCNH2
SCHEMBL5427572 0.78 KCNH2 (0.35) KCNH2

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 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.