SCHEMBL5868699

SCHEMBL5868699

CC1CCOc2c(N3CCC(N)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 2/20 0.68
KDM4E B2RXH2 5/20 0.67
ALDH1A1 P00352 3/20 0.67
HPGD P15428 2/20 0.67
HSD17B10 Q99714 2/20 0.67
ALB P02768 1/20 0.67
HRH3 Q9Y5N1 1/20 0.67
POLB P06746 2/20 0.66
TUBB4A P04350 1/20 0.66
TUBB P07437 1/20 0.66
TUBA3C P0DPH7 1/20 0.66
TUBA1B P68363 1/20 0.66
TUBA4A P68366 1/20 0.66
TUBB4B P68371 1/20 0.66
TUBB3 Q13509 1/20 0.66
TUBB2A Q13885 1/20 0.66
TUBB8 Q3ZCM7 1/20 0.66
TUBA3E Q6PEY2 1/20 0.66
TUBA1A Q71U36 1/20 0.66
SLC47A1 Q96FL8 1/20 0.66

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
SCHEMBL5868701 1.00 AADAT (0.68) AADATKDM4EALDH1A1HPGDHSD17B10
SCHEMBL11076172 0.92 AADAT (0.81) AADATKDM4EALDH1A1HPGDHSD17B10
SCHEMBL8134910 0.86 AADAT (0.75) AADATKDM4EALDH1A1HPGDHSD17B10
SCHEMBL30306067 0.86 AADAT (0.75) AADATKDM4EALDH1A1HPGDHSD17B10
SCHEMBL20576314 0.86 AADAT (0.75) AADATKDM4EALDH1A1HPGDHSD17B10
SCHEMBL25377603 0.86 AADAT (0.75) AADATKDM4EALDH1A1HPGDHSD17B10
SCHEMBL8571680 0.86 AADAT (0.75) AADATKDM4EALDH1A1HPGDHSD17B10
SCHEMBL30306103 0.86 AADAT (0.75) AADATKDM4EALDH1A1HPGDHSD17B10
SCHEMBL11195276 0.83 KDM4E (0.81) AADATKDM4EALDH1A1HPGDHSD17B10
SCHEMBL5021674 0.83 KDM4E (0.81) AADATKDM4EALDH1A1HPGDHSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7098219-B2 Quinolone derivatives WOCKHART LIMITED (IN) 2006-08-29 US disclosed
US-20020177559-A1 Quinolone derivatives WOCKHARDT LIMITED 2002-11-28 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-20020177559-A1 Quinolone derivatives ABCB11, ABCB1, ABCG2 AADAT 3247/4885KDM4E 3354/4885ALDH1A1 2312/4885

“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.