SCHEMBL6080199

SCHEMBL6080199

Nc1c(-c2ccccc2)ccc2c(OCc3ccccc3)c(Cc3ccccc3)c(C(=O)O)nc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 1/20 0.41
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
ALDH1A1 P00352 4/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
KDM4E B2RXH2 3/20 0.35
MCL1 Q07820 1/20 0.35
CYP19A1 P11511 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
PTPN1 P18031 1/20 0.34
MAP4K4 O95819 1/20 0.34
ALOX5AP P20292 2/20 0.34
FEN1 P39748 2/20 0.34

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
SCHEMBL6080645 0.90 P2RY14 (0.43) P2RY14MAPTNPSR1RXRARXRB
SCHEMBL6080945 0.86 KDM4E (0.36) P2RY14ALDH1A1MEN1KMT2AKDM4E
SCHEMBL6081088 0.86 RXRA (0.41) P2RY14RXRARXRBRXRGALDH1A1
SCHEMBL6080784 0.82 KDM4E (0.40) MAPTALDH1A1KDM4ERAB9ASMN1; SMN2
SCHEMBL6079898 0.80 THRA (0.41) ALDH1A1MEN1KMT2AKDM4EMCL1
SCHEMBL6080030 0.78 PTGER1 (0.41) MAPTALDH1A1KDM4EMCL1RAB9A
SCHEMBL6593903 0.77 P2RY14 (0.46) P2RY14MAPTNPSR1RXRARXRB
SCHEMBL6080114 0.76 FFAR1 (0.38) ALDH1A1MEN1KMT2AGAAKDM4E
SCHEMBL6079959 0.74 PIN1 (0.41) ALDH1A1MEN1KMT2AKDM4ERAB9A
SCHEMBL6080492 0.74 HRH3 (0.39) MAPTNPSR1ALDH1A1MEN1KMT2A

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 2 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

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 P2RY14 1419/4885MAPT 1575/4885NPSR1 2960/4885

“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.