SCHEMBL3779227

SCHEMBL3779227

COc1cnc2cccc(C(O)CN3CCN(CCc4ccc5c(c4)OCO5)CC3)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.51
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 3/20 0.49
HTT P42858 2/20 0.49
MAPT P10636 2/20 0.49
TSHR P16473 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
LMNA P02545 2/20 0.49
ALOX15 P16050 1/20 0.49
ALOX12 P18054 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
ADRA1D P25100 3/20 0.48
ADRA1A P35348 3/20 0.48
ADRA1B P35368 3/20 0.48
USP2 O75604 1/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
HSD17B10 Q99714 1/20 0.41
HTR1A P08908 1/20 0.41

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
SCHEMBL3780005 0.95 KCNH2 (0.56) KCNH2KDM4EALDH1A1HTTMAPT
SCHEMBL3779625 0.84 HTR1A (0.55) KCNH2HTR1ASLC6A4
SCHEMBL3775908 0.83 KCNH2 (0.50) KCNH2KDM4EALDH1A1HTTMAPT
SCHEMBL3775094 0.82 KCNH2 (0.53) KCNH2KDM4EALDH1A1HTTMAPT
SCHEMBL5318465 0.80 KCNH2 (0.52) KCNH2KDM4EALDH1A1HTTMAPT
SCHEMBL3775156 0.80 KCNH2 (0.79) KCNH2SLC2A1
SCHEMBL3786610 0.79 KCNH2 (0.74) KCNH2SLC2A1
SCHEMBL3775464 0.78 KCNH2 (0.55) KCNH2KDM4EALDH1A1HTTMAPT
SCHEMBL1527047 0.75 KCNH2 (0.57) KCNH2KDM4ELMNAGAARAB9A
SCHEMBL1526894 0.75 KCNH2 (0.57) KCNH2KDM4ELMNAGAARAB9A

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-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

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 3216/4885KDM4E 1219/4885ALDH1A1 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.