SCHEMBL5451674

SCHEMBL5451674

Cc1cccc2cc(CN(Cc3ccco3)S(=O)(=O)c3ccc4c(c3)OCCN4C)c(=O)[nH]c12

nearest known ligand 0.79

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 10/20 0.79
MAPK1 P28482 4/20 0.79
LMNA P02545 3/20 0.79
ALDH1A1 P00352 12/20 0.63
KDM4E B2RXH2 10/20 0.63
USP2 O75604 1/20 0.63
MAPT P10636 2/20 0.58
HPGD P15428 2/20 0.55
NPSR1 Q6W5P4 1/20 0.54
TSHR P16473 3/20 0.52
KMT2A Q03164 5/20 0.49
MEN1 O00255 3/20 0.49
NPC1 O15118 1/20 0.49
ADRB2 P07550 1/20 0.46
PKM P14618 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
ALOX15 P16050 1/20 0.45
HTT P42858 1/20 0.44
ALOX12 P18054 1/20 0.43

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
SCHEMBL5460816 0.89 KDM4E (0.61) HSD17B10MAPK1LMNAALDH1A1KDM4E
SCHEMBL5449131 0.88 ALDH1A1 (0.60) HSD17B10MAPK1LMNAALDH1A1KDM4E
SCHEMBL5446708 0.88 KDM4E (0.59) HSD17B10MAPK1LMNAALDH1A1KDM4E
SCHEMBL4069417 0.87 KDM4E (0.58) HSD17B10MAPK1LMNAALDH1A1KDM4E
SCHEMBL5454245 0.87 KDM4E (0.60) HSD17B10MAPK1LMNAALDH1A1KDM4E
SCHEMBL5454157 0.86 ALDH1A1 (0.60) HSD17B10MAPK1LMNAALDH1A1KDM4E
SCHEMBL4078124 0.86 ALDH1A1 (0.58) HSD17B10MAPK1LMNAALDH1A1KDM4E
SCHEMBL5449313 0.86 KDM4E (0.58) HSD17B10MAPK1LMNAALDH1A1KDM4E
SCHEMBL5446964 0.86 KDM4E (0.59) HSD17B10MAPK1LMNAALDH1A1KDM4E
SCHEMBL5463304 0.85 KDM4E (0.57) HSD17B10MAPK1LMNAALDH1A1KDM4E

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 1580/4885MAPK1 4478/4885LMNA 2310/4885

“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.