Sugi Predict

Sugi Predict / Compounds / SCHEMBL4075829

SCHEMBL4075829

SCHEMBL4075829

COc1ccc2[nH]c(=O)c(CN(CCO)C(=S)NCCc3ccccc3)cc2c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 16/20 0.72
▸ ALDH1A1 P00352 12/20 0.72
▸ HPGD P15428 6/20 0.72
▸ CYP1A2 P05177 2/20 0.67
▸ CYP3A4 P08684 2/20 0.67
▸ CYP2C19 P33261 2/20 0.67
▸ CYP2D6 P10635 1/20 0.67
▸ CYP2C9 P11712 1/20 0.67
▸ KMT2A Q03164 5/20 0.65
▸ MEN1 O00255 3/20 0.65
▸ HSD17B10 Q99714 3/20 0.61
▸ MAPT P10636 4/20 0.59
▸ LMNA P02545 2/20 0.59
▸ PKM P14618 2/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ GAA P10253 1/20 0.57
▸ NPC1 O15118 2/20 0.57
▸ RAB9A P51151 2/20 0.57
▸ GUSB P08236 2/20 0.56
▸ POLB P06746 1/20 0.55

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
SCHEMBL4070874 0.91 KDM4E (0.83) KDM4EALDH1A1HPGDCYP1A2CYP3A4
SCHEMBL4075849 0.82 KDM4E (0.64) KDM4EALDH1A1HPGDCYP1A2CYP3A4
SCHEMBL4073771 0.82 ALDH1A1 (0.69) KDM4EALDH1A1HPGDCYP1A2CYP3A4
SCHEMBL4072881 0.81 MAPT (0.72) KDM4EALDH1A1HPGDCYP1A2CYP3A4
SCHEMBL5454337 0.77 ALDH1A1 (0.80) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL24852632 0.72 MAPT (0.67) KDM4EALDH1A1HPGDCYP1A2CYP3A4
SCHEMBL30162737 0.72 MAPT (0.67) KDM4EALDH1A1HPGDCYP1A2CYP3A4
SCHEMBL14300067 0.72 GUSB (1.00) KDM4EALDH1A1HPGDCYP1A2CYP3A4
SCHEMBL14300068 0.71 GUSB (1.00) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL9293461 0.70 KDM4E (0.65) KDM4EALDH1A1HPGDKMT2AMEN1

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 1055/4885HPGD 354/4885

“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.