SCHEMBL4072787

SCHEMBL4072787

CCNC(=S)N(CCCO)Cc1cc2ccc(C)cc2[nH]c1=O

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.62
KDM4E B2RXH2 6/20 0.58
ALDH1A1 P00352 6/20 0.58
MAPT P10636 3/20 0.58
HPGD P15428 3/20 0.58
MEN1 O00255 3/20 0.57
NSD2 O96028 1/20 0.57
POLB P06746 1/20 0.57
LMNA P02545 2/20 0.55
NPC1 O15118 1/20 0.55
PKM P14618 1/20 0.55
RAB9A P51151 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.52
GUSB P08236 1/20 0.52

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
SCHEMBL5456271 0.78 POLB (0.77) KMT2AKDM4EALDH1A1MAPTMEN1
SCHEMBL16171086 0.76 NSD2 (0.79) KMT2AKDM4EALDH1A1MEN1NSD2
SCHEMBL16365601 0.75 KDM4E (0.67) KMT2AKDM4EALDH1A1MAPTHPGD
SCHEMBL4394373 0.74 GUSB (0.64) KMT2AKDM4EALDH1A1MAPTMEN1
SCHEMBL16491215 0.73 KMT2A (1.00) KMT2AKDM4EALDH1A1MEN1NSD2
SCHEMBL4078096 0.71 ALDH1A1 (0.64) KDM4EALDH1A1MAPTHPGDPOLB
SCHEMBL14068804 0.69 RXFP1 (0.86) KMT2AKDM4EALDH1A1MAPTHPGD
SCHEMBL4075930 0.67 POLB (0.85) KDM4EALDH1A1MAPTHPGDPOLB
SCHEMBL4074549 0.67 ALDH1A1 (1.00) KMT2AKDM4EALDH1A1MAPTHPGD
SCHEMBL18282645 0.66 RAD52 (1.00) KMT2AKDM4EALDH1A1MEN1NSD2

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 KMT2A 2810/4885KDM4E 2403/4885ALDH1A1 1055/4885

“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.