SCHEMBL3774489

SCHEMBL3774489

COc1cnc2cccc(C(O)CN3CCC(NC/C=C/c4ccco4)CC3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.49
SLC2A1 P11166 9/20 0.46
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35

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
SCHEMBL3774497 1.00 KCNH2 (0.49) KCNH2SLC2A1MTNR1AMTNR1B
SCHEMBL5738322 0.90 KCNH2 (0.61) KCNH2SLC2A1
SCHEMBL3769339 0.87 KCNH2 (0.48) KCNH2SLC2A1
SCHEMBL3769333 0.87 KCNH2 (0.48) KCNH2SLC2A1
SCHEMBL3780351 0.86 KCNH2 (0.48) KCNH2SLC2A1MTNR1AMTNR1B
SCHEMBL3780360 0.86 KCNH2 (0.48) KCNH2SLC2A1MTNR1AMTNR1B
SCHEMBL3775331 0.83 SLC2A1 (0.51) KCNH2SLC2A1
SCHEMBL3775326 0.83 SLC2A1 (0.51) KCNH2SLC2A1
SCHEMBL3774752 0.78 KCNH2 (0.49) KCNH2SLC2A1MTNR1AMTNR1B
SCHEMBL3688107 0.78 KCNH2 (0.47) KCNH2SLC2A1

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-20100324030-A1 5-Quinoline derivatives having an anti-bacterial activity MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2010-12-23 US disclosed
US-20100324030-A1 5-Quinoline derivatives having an anti-bacterial activity MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2010-12-23 US disclosed
US-20100324030-A1 5-Quinoline derivatives having an anti-bacterial activity MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2010-12-23 US disclosed
EP-1943222-A1 ANTIBACTERIAL ACTIVE 5-CHINOLIN DERIVATIVE Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2008-07-16 EP disclosed
WO-2007042325-A1 ANTIBACTERIAL ACTIVE 5-CHINOLIN DERIVATIVE Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) 2007-04-19 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-20100324030-A1 5-Quinoline derivatives having an anti-bacterial activity TOP2A, TOP1, TOP2B KCNH2 3216/4885SLC2A1 4605/4885MTNR1A 4248/4885

“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.