SCHEMBL3775540

SCHEMBL3775540

COc1cnc2cccc(C(O)CN3CCN(C4CCNCC4)CC3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 8/20 0.42
KCNH2 Q12809 3/20 0.41
GAA P10253 2/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
TSHR P16473 2/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
KDR P35968 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
KHK P50053 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
SCHEMBL3771349 0.85 SLC2A1 (0.41) SLC2A1KCNH2HTTMTNR1AMTNR1B
SCHEMBL27725105 0.84 MTNR1B (0.38) SLC2A1GAATSHRMTNR1AMTNR1B
SCHEMBL3779200 0.82 SLC2A1 (0.47) SLC2A1KCNH2GAALMNAHTT
SCHEMBL3769272 0.76 SLC2A1 (0.53) SLC2A1KCNH2MTNR1AMTNR1B
SCHEMBL3776044 0.76 SLC2A1 (0.41) SLC2A1KCNH2LMNAHTTTSHR
SCHEMBL5266900 0.76 SLC2A1 (0.40) SLC2A1KCNH2LMNAHTTTSHR
SCHEMBL3775094 0.75 KCNH2 (0.53) SLC2A1KCNH2GAALMNAHTT
SCHEMBL5264168 0.75 MTNR1B (0.41) SLC2A1KCNH2MTNR1AMTNR1B
SCHEMBL3774752 0.75 KCNH2 (0.49) SLC2A1KCNH2MTNR1AMTNR1BKDM4E
SCHEMBL3781666 0.74 SLC2A1 (0.53) SLC2A1KCNH2MTNR1AMTNR1B

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 4 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
CN-101341126-A Antibacterial active 5-chinolin derivative MORPHOCHEM AG FUER KOM (DE) 2009-01-07 CN 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 SLC2A1 4605/4885KCNH2 3216/4885GAA 321/4885

“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.