Sugi Predict

Sugi Predict / Compounds / SCHEMBL4077698

SCHEMBL4077698

SCHEMBL4077698

Cc1cccc2cc(CN(CCN3CCN(C)CC3)S(=O)(=O)c3ccc4c(c3)OCCN4C)c(=O)[nH]c12

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.58
▸ KDM4E B2RXH2 10/20 0.58
▸ LMNA P02545 3/20 0.58
▸ MAPT P10636 2/20 0.58
▸ HSD17B10 Q99714 7/20 0.56
▸ MAPK1 P28482 4/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ HTT P42858 1/20 0.44
▸ USP2 O75604 3/20 0.44
▸ HPGD P15428 2/20 0.43
▸ TSHR P16473 1/20 0.42
▸ GAA P10253 2/20 0.41
▸ APOBEC3A P31941 1/20 0.40
▸ APOBEC3G Q9HC16 1/20 0.40
▸ POLB P06746 1/20 0.40

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
SCHEMBL4071413 0.95 ALDH1A1 (0.57) ALDH1A1KDM4ELMNAMAPTHSD17B10
SCHEMBL5446708 0.91 KDM4E (0.59) ALDH1A1KDM4ELMNAMAPTHSD17B10
SCHEMBL4069417 0.90 KDM4E (0.58) ALDH1A1KDM4ELMNAMAPTHSD17B10
SCHEMBL5446964 0.89 KDM4E (0.59) ALDH1A1KDM4ELMNAMAPTHSD17B10
SCHEMBL5449313 0.89 KDM4E (0.58) ALDH1A1KDM4ELMNAMAPTHSD17B10
SCHEMBL5460816 0.89 KDM4E (0.61) ALDH1A1KDM4ELMNAMAPTHSD17B10
SCHEMBL5463304 0.89 KDM4E (0.57) ALDH1A1KDM4ELMNAMAPTHSD17B10
SCHEMBL4080313 0.89 KDM4E (0.57) ALDH1A1KDM4ELMNAMAPTHSD17B10
SCHEMBL4081440 0.89 KDM4E (0.57) ALDH1A1KDM4ELMNAMAPTHSD17B10
SCHEMBL4071665 0.89 ALDH1A1 (0.57) ALDH1A1KDM4ELMNAMAPTHSD17B10

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 ALDH1A1 1055/4885KDM4E 2403/4885LMNA 2310/4885

“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.