SCHEMBL6079930

SCHEMBL6079930

Nc1ccc(-c2ccccc2)c2c(O)cc(C(=O)O)nc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.38
NR1I2 O75469 1/20 0.38
SMARCA2 P51531 1/20 0.38
SMARCA4 P51532 1/20 0.38
PBRM1 Q86U86 1/20 0.38
KMT2A Q03164 4/20 0.38
KDM4E B2RXH2 3/20 0.38
GFER P55789 1/20 0.37
BACE1 P56817 1/20 0.37
ALOX5 P09917 1/20 0.37
MAP2K3 P46734 1/20 0.36
MMP2 P08253 1/20 0.36
MCL1 Q07820 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL6080071 0.87 KDM4E (0.44) KMT2AKDM4EBACE1ALOX5MMP2
SCHEMBL6080466 0.86 EGFR (0.46) KMT2AKDM4EALDH1A1MEN1LMNA
SCHEMBL6080409 0.78 KDM4E (0.43) KMT2AKDM4EMCL1MAPTTDP1
SCHEMBL6080623 0.78 MMP2 (0.39) KMT2AKDM4EGFERBACE1ALOX5
SCHEMBL6080452 0.76 DHFR (0.39) KMT2AKDM4EMCL1ALDH1A1MEN1
SCHEMBL6592960 0.76 MCL1 (0.48) MCL1CYP2C9PTPN1
SCHEMBL6080448 0.76 TYR (0.43) KMT2AKDM4EALDH1A1TDP1GAA
SCHEMBL6080859 0.75 MCL1 (0.43) KMT2AKDM4EMCL1CYP2C9SMN1; SMN2
SCHEMBL6080083 0.75 IGFBP5 (0.36) KMT2AKDM4EMAPTTDP1
SCHEMBL6080950 0.74 KDM4E (0.46) KMT2AKDM4EBACE1ALOX5MMP2

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-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NEURO3D (FR) 2006-08-17 US claimed
US-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NEURO3D (FR) 2006-08-17 US disclosed
EP-1451159-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2004-09-01 EP disclosed
WO-2003010146-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2003-02-06 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-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NQO1, NQO2, RECQL BRD4 412/4885NR1I2 2896/4885SMARCA2 4333/4885

“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.