SCHEMBL4074546

SCHEMBL4074546

COCCNC(=S)N(CCCN1CCOCC1)Cc1cc2cc(C)ccc2[nH]c1=O

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 13/20 0.64
ALDH1A1 P00352 9/20 0.64
USP2 O75604 3/20 0.64
HPGD P15428 2/20 0.64
LMNA P02545 4/20 0.63
HSD17B10 Q99714 3/20 0.61
MAPT P10636 2/20 0.61
TP53 P04637 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
PKM P14618 2/20 0.61
ALOX15 P16050 1/20 0.57
POLB P06746 1/20 0.56
HTT P42858 1/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
ESR1 P03372 1/20 0.54

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
SCHEMBL4078096 0.77 ALDH1A1 (0.64) KDM4EALDH1A1HPGDLMNAHSD17B10
SCHEMBL4081485 0.76 ALDH1A1 (0.57) KDM4EALDH1A1USP2HPGDLMNA
SCHEMBL4071636 0.75 KDM4E (0.71) KDM4EALDH1A1HPGDLMNAHSD17B10
SCHEMBL4080549 0.71 KDM4E (0.59) KDM4EALDH1A1USP2HPGDLMNA
SCHEMBL26111482 0.70 ALDH1A1 (0.74) KDM4EALDH1A1HPGDLMNAHSD17B10
SCHEMBL26110509 0.70 ALDH1A1 (0.66) KDM4EALDH1A1HPGDLMNAHSD17B10
SCHEMBL26568013 0.70 KDM4E (0.54) KDM4EALDH1A1USP2HPGDLMNA
SCHEMBL26568831 0.69 KDM4E (0.54) KDM4EALDH1A1HPGDLMNAHSD17B10
SCHEMBL26113339 0.69 KDM4E (0.56) KDM4EALDH1A1HPGDLMNAHSD17B10
SCHEMBL4073868 0.69 ALDH1A1 (0.58) KDM4EALDH1A1LMNAHSD17B10MAPT

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 KDM4E 2403/4885ALDH1A1 1055/4885USP2 1282/4885

“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.