SCHEMBL6080943

SCHEMBL6080943

Nc1c(I)ccc2c(OCc3ccccc3)cc(C(=O)OCc3ccccc3)nc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.40
TSHR P16473 1/20 0.39
CASP3 P42574 1/20 0.39
RAB9A P51151 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTT P42858 1/20 0.38
AKR1B1 P15121 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
MAP4K4 O95819 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
MAOB P27338 1/20 0.37
ADORA2A P29274 1/20 0.37

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
SCHEMBL6594274 0.90 MCL1 (0.42) FFAR1MAP4K4
SCHEMBL6080197 0.86 CYP11B1 (0.42) TSHRCASP3RAB9ASENP8SENP7
SCHEMBL6080347 0.83 MRGPRX4 (0.42) RAB9AL3MBTL1SLC6A2SLC6A3KMT2A
SCHEMBL6079894 0.79 THRA (0.42) TSHRSLC6A2SLC6A3KMT2ATDP1
SCHEMBL6080025 0.79 MRGPRX4 (0.42) TSHRRAB9AL3MBTL1SLC6A2SLC6A3
SCHEMBL6080642 0.78 P2RY14 (0.42) RAB9ASLC6A2SLC6A3KMT2ATDP1
SCHEMBL6081081 0.78 PTGER1 (0.45) RAB9AKDM4E
SCHEMBL2906705 0.78 MAPT (0.49) L3MBTL1SLC6A2SLC6A3KMT2ATDP1
SCHEMBL6080651 0.76 PTGER1 (0.42) TSHRCASP3RAB9ASENP8SENP7
SCHEMBL6593903 0.76 P2RY14 (0.46) MAP4K4MAPT

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 FFAR1 4189/4885TSHR 4728/4885CASP3 2818/4885

“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.