SCHEMBL5451509

SCHEMBL5451509

Cc1ccc2cc(CN(C3CCCC(NC(=O)OC(C)(C)C)C3)S(=O)(=O)c3ccc4c(c3)OCCN4C)c(=O)[nH]c2c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 11/20 0.46
KDM4E B2RXH2 12/20 0.43
NPSR1 Q6W5P4 3/20 0.43
TSHR P16473 3/20 0.43
ALDH1A1 P00352 10/20 0.43
HTT P42858 4/20 0.40
LMNA P02545 3/20 0.40
GAA P10253 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.37
MAPK1 P28482 3/20 0.37
POLB P06746 1/20 0.36
ALOX15 P16050 1/20 0.36
HPGD P15428 1/20 0.36
MAPT P10636 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL4081679 0.86 HSD17B10 (0.57) HSD17B10KDM4ENPSR1TSHRALDH1A1
SCHEMBL4072825 0.86 HSD17B10 (0.56) HSD17B10KDM4ENPSR1TSHRALDH1A1
SCHEMBL4071984 0.85 HSD17B10 (0.56) HSD17B10KDM4ENPSR1TSHRALDH1A1
SCHEMBL4074106 0.85 HSD17B10 (0.49) HSD17B10KDM4ENPSR1TSHRALDH1A1
SCHEMBL4074109 0.85 HSD17B10 (0.49) HSD17B10KDM4ENPSR1TSHRALDH1A1
SCHEMBL5457676 0.82 HSD17B10 (0.54) HSD17B10KDM4ENPSR1TSHRALDH1A1
SCHEMBL4073781 0.82 HSD17B10 (0.54) HSD17B10KDM4ENPSR1TSHRALDH1A1
SCHEMBL4078115 0.81 HSD17B10 (0.53) HSD17B10KDM4ENPSR1TSHRALDH1A1
SCHEMBL4079618 0.81 HSD17B10 (0.53) HSD17B10KDM4ENPSR1TSHRALDH1A1
SCHEMBL4079614 0.81 HSD17B10 (0.53) HSD17B10KDM4ENPSR1TSHRALDH1A1

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 1580/4885KDM4E 2403/4885NPSR1 4425/4885

“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.