SCHEMBL4079618

SCHEMBL4079618

Cc1ccc2cc(CN([C@@H]3CCC[C@H]3O)S(=O)(=O)c3ccc4c(c3)OCCN4C)c(=O)[nH]c2c1C

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 10/20 0.53
ALDH1A1 P00352 12/20 0.43
KDM4E B2RXH2 9/20 0.43
MAPK1 P28482 3/20 0.43
TSHR P16473 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
HTT P42858 3/20 0.41
HPGD P15428 2/20 0.41
LMNA P02545 6/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
GAA P10253 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALOX15 P16050 1/20 0.38
USP2 O75604 1/20 0.37

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
SCHEMBL4079614 1.00 HSD17B10 (0.53) HSD17B10ALDH1A1KDM4EMAPK1TSHR
SCHEMBL4075786 1.00 HSD17B10 (0.53) HSD17B10ALDH1A1KDM4EMAPK1TSHR
SCHEMBL4078111 1.00 HSD17B10 (0.53) HSD17B10ALDH1A1KDM4EMAPK1TSHR
SCHEMBL4078115 1.00 HSD17B10 (0.53) HSD17B10ALDH1A1KDM4EMAPK1TSHR
SCHEMBL5465501 0.99 HSD17B10 (0.53) HSD17B10ALDH1A1KDM4EMAPK1TSHR
SCHEMBL4076798 0.99 HSD17B10 (0.53) HSD17B10ALDH1A1KDM4EMAPK1TSHR
SCHEMBL4076801 0.99 HSD17B10 (0.53) HSD17B10ALDH1A1KDM4EMAPK1TSHR
SCHEMBL4076804 0.99 HSD17B10 (0.53) HSD17B10ALDH1A1KDM4EMAPK1TSHR
SCHEMBL5465498 0.99 HSD17B10 (0.53) HSD17B10ALDH1A1KDM4EMAPK1TSHR
SCHEMBL5454959 0.95 HSD17B10 (0.54) HSD17B10ALDH1A1KDM4EMAPK1TSHR

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 4 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
EP-2040711-A2 2-OXO-1,2-DIHYDROQUINOLINE DERIVATIVES, COMPOSITIONS, AND USES THEREOF AS ANTIPROLIFERATIVE AGENTS Amphora Discovery Corporation (US) 2009-04-01 EP disclosed
US-20070287706-A1 Certain substituted quinolones, compositions, and uses thereof AGRIUS GROUP, LLC. 2007-12-13 US disclosed
WO-2007136592-A2 2-0X0-L,2-DIHYDR0QUIN0LINE DERIVATIVES, COMPOSITIONS, AND USES THEREOF AS ANTIPROLIFERATIVE AGENTS AMPHORA DISCOVERY CORPORATION (US) 2007-11-29 WO 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.