SCHEMBL5452535

SCHEMBL5452535

CN1CCOc2cc(S(=O)(=O)N(Cc3cc4cccc(Cl)c4[nH]c3=O)[C@@H]3CCC[C@H]3O)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 10/20 0.40
ALDH1A1 P00352 10/20 0.40
KDM4E B2RXH2 9/20 0.40
MAPK1 P28482 4/20 0.40
LMNA P02545 3/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 2/20 0.38
HPGD P15428 4/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
PTGES2 Q9H7Z7 1/20 0.35
KMT2A Q03164 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
CASP1 P29466 1/20 0.35
TSHR P16473 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TP53 P04637 1/20 0.34
KCNA5 P22460 1/20 0.34

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
SCHEMBL5452528 1.00 HSD17B10 (0.40) HSD17B10ALDH1A1KDM4EMAPK1LMNA
SCHEMBL5452541 1.00 HSD17B10 (0.40) HSD17B10ALDH1A1KDM4EMAPK1LMNA
SCHEMBL4076729 0.92 ALDH1A1 (0.49) HSD17B10ALDH1A1KDM4EMAPK1LMNA
SCHEMBL4076730 0.92 ALDH1A1 (0.49) HSD17B10ALDH1A1KDM4EMAPK1LMNA
SCHEMBL4076728 0.92 ALDH1A1 (0.49) HSD17B10ALDH1A1KDM4EMAPK1LMNA
Hydrochloric Acid SCHEMBL5448573 0.91 ALDH1A1 (0.48) HSD17B10ALDH1A1KDM4EMAPK1LMNA
Hydrochloric Acid SCHEMBL5448567 0.91 ALDH1A1 (0.48) HSD17B10ALDH1A1KDM4EMAPK1LMNA
Hydrochloric Acid SCHEMBL5448574 0.91 ALDH1A1 (0.48) HSD17B10ALDH1A1KDM4EMAPK1LMNA
SCHEMBL4070491 0.91 ALDH1A1 (0.49) HSD17B10ALDH1A1KDM4EMAPK1LMNA
SCHEMBL4073354 0.91 ALDH1A1 (0.49) HSD17B10ALDH1A1KDM4EMAPK1LMNA

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.