SCHEMBL4074129

SCHEMBL4074129

Cc1cc(C)c2[nH]c(=O)c(CN(Cc3ccc4c(c3)OCO4)C(=O)CCCN(C)C)cc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.55
NPSR1 Q6W5P4 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
KDM4E B2RXH2 11/20 0.53
HSD17B10 Q99714 5/20 0.53
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
TSHR P16473 3/20 0.53
ALOX15 P16050 2/20 0.53
HTT P42858 2/20 0.53
CASP1 P29466 1/20 0.53
HPGD P15428 3/20 0.51
POLB P06746 3/20 0.50
MAPT P10636 3/20 0.50
PKM P14618 2/20 0.50
ALOX12 P18054 1/20 0.50
LMNA P02545 2/20 0.49
USP2 O75604 1/20 0.49
NPY1R P25929 1/20 0.48
NPY2R P49146 1/20 0.48

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
SCHEMBL4075906 0.92 PKM (0.58) ALDH1A1NPSR1SMN1; SMN2KDM4EHSD17B10
SCHEMBL4070699 0.91 ALDH1A1 (0.55) ALDH1A1NPSR1SMN1; SMN2KDM4EHSD17B10
SCHEMBL5443445 0.90 KDM4E (0.56) ALDH1A1NPSR1KDM4EHSD17B10KMT2A
SCHEMBL4077944 0.90 KDM4E (0.52) ALDH1A1NPSR1SMN1; SMN2KDM4EHSD17B10
SCHEMBL4073274 0.90 ALDH1A1 (0.53) ALDH1A1NPSR1SMN1; SMN2KDM4EHSD17B10
SCHEMBL4073161 0.89 KDM4E (0.54) ALDH1A1NPSR1SMN1; SMN2KDM4EHSD17B10
SCHEMBL4070506 0.89 KDM4E (0.56) ALDH1A1NPSR1KDM4EHSD17B10KMT2A
SCHEMBL5448947 0.88 KDM4E (0.66) ALDH1A1NPSR1KDM4EHSD17B10KMT2A
SCHEMBL4391674 0.87 ALDH1A1 (0.53) ALDH1A1NPSR1SMN1; SMN2KDM4EHSD17B10
SCHEMBL4073262 0.86 ALDH1A1 (0.56) ALDH1A1NPSR1SMN1; SMN2KDM4EHSD17B10

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 ALDH1A1 1055/4885NPSR1 4425/4885SMN1; SMN2 4654/4885

“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.