SCHEMBL6079735

SCHEMBL6079735

COC(=O)c1cc(O)c2cc(-c3ccc(Cl)c(Cl)c3)cc(OCc3ccccc3)c2n1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.46
MCL1 Q07820 3/20 0.43
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
CNR1 P21554 1/20 0.41
BCL2L1 Q07817 2/20 0.39
PTGER1 P34995 1/20 0.39
EGFR P00533 1/20 0.39
ERBB2 P04626 1/20 0.39
PTPN1 P18031 2/20 0.39
DHODH Q02127 3/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
CTSA P10619 1/20 0.38
ERN1 O75460 1/20 0.38
MAP4K4 O95819 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
SCHEMBL6080319 0.90 CNR1 (0.46) NOTUMMCL1LMNAHPGDCNR1
SCHEMBL6588409 0.90 MCL1 (0.46) MCL1PTGER1PTPN1DHODHMRGPRX4
SCHEMBL6080550 0.87 MAPT (0.45) MCL1LMNAHPGDPTPN1DHODH
SCHEMBL6081276 0.86 LMNA (0.42) NOTUMMCL1LMNAHPGDPTPN1
SCHEMBL6080624 0.83 CYP11B1 (0.48) LMNAHPGDPTPN1
SCHEMBL6080387 0.81 NOTUM (0.50) NOTUM
SCHEMBL6079995 0.81 HPGD (0.44) NOTUMLMNAHPGDERN1
SCHEMBL6080125 0.81 LMNA (0.47) NOTUMLMNAHPGDMRGPRX4
SCHEMBL6080510 0.81 LMNA (0.47) NOTUMLMNAHPGDPTGER1
SCHEMBL6594732 0.80 MCL1 (0.49) MCL1PTGER1PTPN1MAP4K4

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 NOTUM 1846/4885MCL1 998/4885LMNA 2027/4885

“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.