SCHEMBL4074189

SCHEMBL4074189

Cc1ccc2cc(CN(CCCN3CCOCC3)C(=S)NC(C)c3ccccc3)c(=O)[nH]c2c1C

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 8/20 0.62
KDM4E B2RXH2 7/20 0.62
TSHR P16473 2/20 0.62
NPSR1 Q6W5P4 2/20 0.62
ALDH1A1 P00352 11/20 0.62
POLB P06746 1/20 0.54
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
LMNA P02545 2/20 0.52
SMN1; SMN2 Q16637 4/20 0.51
GUSB P08236 1/20 0.49
HTT P42858 1/20 0.49
PKM P14618 1/20 0.48
USP2 O75604 1/20 0.48
HPGD P15428 2/20 0.48
GLA P06280 1/20 0.48
GAA P10253 2/20 0.47
ALOX15 P16050 1/20 0.47

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
SCHEMBL4073868 0.74 ALDH1A1 (0.58) HSD17B10KDM4ETSHRNPSR1ALDH1A1
SCHEMBL21637789 0.72 HSD17B10 (0.57) HSD17B10KDM4ETSHRNPSR1ALDH1A1
SCHEMBL4081485 0.69 ALDH1A1 (0.57) HSD17B10KDM4ETSHRNPSR1ALDH1A1
SCHEMBL4071636 0.69 KDM4E (0.71) HSD17B10KDM4ETSHRNPSR1ALDH1A1
SCHEMBL4074546 0.67 KDM4E (0.64) HSD17B10KDM4EALDH1A1POLBMEN1
SCHEMBL18426713 0.65 ALDH1A1 (1.00) HSD17B10KDM4ETSHRNPSR1ALDH1A1
SCHEMBL4078096 0.65 ALDH1A1 (0.64) HSD17B10KDM4ETSHRNPSR1ALDH1A1
SCHEMBL4075849 0.64 KDM4E (0.64) HSD17B10KDM4ETSHRNPSR1ALDH1A1
SCHEMBL4081567 0.64 ALDH1A1 (0.67) HSD17B10KDM4ENPSR1ALDH1A1POLB
SCHEMBL4787458 0.63 NPSR1 (0.53) HSD17B10KDM4ETSHRNPSR1ALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2040711-A2 2-OXO-1,2-DIHYDROQUINOLINE DERIVATIVES, COMPOSITIONS, AND USES THEREOF AS ANTIPROLIFERATIVE AGENTS Amphora Discovery Corporation (US) 2009-04-01 EP claimed
US-20070287706-A1 Certain substituted quinolones, compositions, and uses thereof AGRIUS GROUP, LLC. 2007-12-13 US claimed
WO-2007136592-A2 2-0X0-L,2-DIHYDR0QUIN0LINE DERIVATIVES, COMPOSITIONS, AND USES THEREOF AS ANTIPROLIFERATIVE AGENTS AMPHORA DISCOVERY CORPORATION (US) 2007-11-29 WO 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 1580/4885KDM4E 2403/4885TSHR 4758/4885

“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.