SCHEMBL5452456

SCHEMBL5452456

Cc1ccc2cc(CN(C3CCC(N)CC3)S(=O)(=O)c3ccc4c(c3)OCCN4C)c(=O)[nH]c2c1C

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 10/20 0.52
ALDH1A1 P00352 10/20 0.42
KDM4E B2RXH2 10/20 0.42
MAPK1 P28482 4/20 0.42
HTT P42858 2/20 0.41
LMNA P02545 4/20 0.40
HPGD P15428 2/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
USP2 O75604 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.36
PKM P14618 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
SCHEMBL5452450 1.00 HSD17B10 (0.52) HSD17B10ALDH1A1KDM4EMAPK1HTT
SCHEMBL4081679 0.94 HSD17B10 (0.57) HSD17B10ALDH1A1KDM4EMAPK1HTT
SCHEMBL4072825 0.93 HSD17B10 (0.56) HSD17B10ALDH1A1KDM4EMAPK1HTT
SCHEMBL5457676 0.93 HSD17B10 (0.54) HSD17B10ALDH1A1KDM4EMAPK1HTT
SCHEMBL4073781 0.93 HSD17B10 (0.54) HSD17B10ALDH1A1KDM4EMAPK1HTT
SCHEMBL4073777 0.93 HSD17B10 (0.54) HSD17B10ALDH1A1KDM4EMAPK1HTT
SCHEMBL4071984 0.92 HSD17B10 (0.56) HSD17B10ALDH1A1KDM4EMAPK1HTT
SCHEMBL4073229 0.92 HSD17B10 (0.52) HSD17B10ALDH1A1KDM4EMAPK1HTT
SCHEMBL4074106 0.89 HSD17B10 (0.49) HSD17B10ALDH1A1KDM4EMAPK1HTT
SCHEMBL4074109 0.89 HSD17B10 (0.49) HSD17B10ALDH1A1KDM4EMAPK1HTT

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-20070287706-A1 Certain substituted quinolones, compositions, and uses thereof AGRIUS GROUP, LLC. 2007-12-13 US claimed
US-20070287706-A1 Certain substituted quinolones, compositions, and uses thereof AGRIUS GROUP, LLC. 2007-12-13 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-20070287706-A1 Certain substituted quinolones, compositions, and uses thereof ABCG2, ATP5ME, ATP5MG HSD17B10 1580/4885ALDH1A1 1055/4885KDM4E 2403/4885

“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.