SCHEMBL6080259

SCHEMBL6080259

COC(=O)c1cc(O)c2c(C(F)(F)F)ccc(OCc3ccccc3)c2n1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 7/20 0.47
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
RXRA P19793 2/20 0.41
RXRB P28702 2/20 0.41
RXRG P48443 2/20 0.41
NOTUM Q6P988 1/20 0.41
PTPN2 P17706 2/20 0.39
PTPN1 P18031 2/20 0.39
PTPN6 P29350 2/20 0.39
PTGER1 P34995 1/20 0.39
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
SMPD1 P17405 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
LRRK2 Q5S007 1/20 0.39

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
SCHEMBL6591655 0.89 MRGPRX4 (0.47) MRGPRX4RXRARXRBRXRGPTPN2
SCHEMBL6080412 0.85 LMNA (0.47) MRGPRX4LMNAHPGDNOTUMPTGER1
SCHEMBL6079781 0.84 LMNA (0.46) MRGPRX4LMNAHPGDNOTUMFFAR4
SCHEMBL6080335 0.84 LMNA (0.46) LMNAHPGDRXRARXRBRXRG
SCHEMBL6079823 0.79 LMNA (0.50) MRGPRX4LMNAHPGDNOTUMHDAC1
SCHEMBL6080263 0.78 RXRA (0.45) MRGPRX4RXRARXRBRXRGPTGER1
SCHEMBL544470 0.78 MRGPRX4 (0.46) MRGPRX4LMNAHPGDRXRARXRB
SCHEMBL16653066 0.75 MRGPRX4 (0.46) MRGPRX4LMNAHPGDRXRARXRB
SCHEMBL6079519 0.75 LMNA (0.54) LMNAHPGDNOTUM
SCHEMBL6080510 0.74 LMNA (0.47) LMNAHPGDNOTUMPTGER1SMPD1

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 1 patent. 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 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 MRGPRX4 238/4885LMNA 2027/4885HPGD 336/4885

“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.