SCHEMBL4072838

SCHEMBL4072838

Cc1cccc2cc(CNC(C)C)c(=O)[nH]c12

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.61
ALDH1A1 P00352 9/20 0.61
RXFP1 Q9HBX9 2/20 0.58
HSD17B10 Q99714 4/20 0.58
HIF1A Q16665 1/20 0.58
HPGD P15428 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
DAO P14920 1/20 0.52
DDO Q99489 1/20 0.52
GLA P06280 1/20 0.52
KMT2A Q03164 1/20 0.50
LMNA P02545 2/20 0.48
MAPT P10636 1/20 0.48
ATM Q13315 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
USP2 O75604 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
SCHEMBL5445620 0.85 ALDH1A1 (0.53) KDM4EALDH1A1RXFP1HSD17B10HIF1A
SCHEMBL4745410 0.78 RXFP1 (0.69) KDM4EALDH1A1RXFP1HSD17B10HPGD
SCHEMBL17505178 0.77 KDM4E (0.61) KDM4EALDH1A1RXFP1HSD17B10HPGD
SCHEMBL4746968 0.76 RXFP1 (0.63) KDM4EALDH1A1RXFP1HSD17B10HPGD
SCHEMBL5460835 0.76 KDM4E (0.57) KDM4EALDH1A1RXFP1HSD17B10HPGD
SCHEMBL4746065 0.75 RXFP1 (0.57) KDM4EALDH1A1RXFP1HSD17B10HPGD
SCHEMBL4077691 0.74 ALDH1A1 (0.53) KDM4EALDH1A1RXFP1HSD17B10HPGD
SCHEMBL4077687 0.74 ALDH1A1 (0.53) KDM4EALDH1A1RXFP1HSD17B10HPGD
SCHEMBL4743044 0.74 RXFP1 (0.56) KDM4EALDH1A1RXFP1HSD17B10HPGD
SCHEMBL12559601 0.73 DAO (0.71) KDM4EALDH1A1RXFP1HSD17B10HPGD

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 3 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 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 1055/4885RXFP1 4602/4885

“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.