SCHEMBL3775908

SCHEMBL3775908

COc1cnc2cccc(C(O)CN3CCC(CCO)(NCc4ccc5c(c4)OCO5)CC3)c2c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.50
HTT P42858 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
ALOX12 P18054 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PDE5A O76074 3/20 0.40
CLK4 Q9HAZ1 1/20 0.39
MCHR1 Q99705 3/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SLC2A1 P11166 2/20 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
SCHEMBL3775464 0.96 KCNH2 (0.55) KCNH2HTTALDH1A1KDM4EMEN1
SCHEMBL3779177 0.87 KCNH2 (0.42) KCNH2
SCHEMBL3779227 0.83 KCNH2 (0.51) KCNH2HTTALDH1A1KDM4EMEN1
SCHEMBL3780005 0.78 KCNH2 (0.56) KCNH2HTTALDH1A1KDM4EMEN1
SCHEMBL5318465 0.78 KCNH2 (0.52) KCNH2HTTALDH1A1KDM4EMEN1
SCHEMBL3775156 0.78 KCNH2 (0.79) KCNH2SLC2A1
SCHEMBL3786610 0.77 KCNH2 (0.74) KCNH2SLC2A1
SCHEMBL3775912 0.77 KCNH2 (0.36) KCNH2HTTLMNASLC2A1
SCHEMBL3784581 0.75 KCNH2 (0.62) KCNH2SLC2A1
SCHEMBL3775094 0.75 KCNH2 (0.53) KCNH2HTTALDH1A1KDM4EMEN1

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
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
CN-101341126-A Antibacterial active 5-chinolin derivative MORPHOCHEM AG FUER KOM (DE) 2009-01-07 CN 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 3216/4885HTT 3919/4885ALDH1A1 3016/4885

“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.