SCHEMBL6080587

SCHEMBL6080587

COC(=O)c1cc(OCc2ccccc2)c2ccc(NC(C)=O)cc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 1/20 0.51
▸ CYP11B2 P19099 1/20 0.51
▸ MEN1 O00255 6/20 0.51
▸ KMT2A Q03164 6/20 0.51
▸ KDM4E B2RXH2 5/20 0.51
▸ MAPT P10636 3/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ HPGD P15428 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ CYP19A1 P11511 1/20 0.49
▸ PPIA P62937 2/20 0.48
▸ BRD4 O60885 1/20 0.47
▸ TNF P01375 1/20 0.46
▸ NOD2 Q9HC29 1/20 0.46
▸ NOD1 Q9Y239 1/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ ADAM17 P78536 1/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ PABPC1 P11940 1/20 0.44
▸ HTR1A P08908 1/20 0.43

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
SCHEMBL31389266 0.85 ALOX15 (0.55) MAPTALDH1A1HPGDSMN1; SMN2ADAM17
SCHEMBL20877162 0.84 TP53 (0.47) MAPTHPGD
SCHEMBL31389256 0.79 ALOX15 (0.50) MAPTADAM17
SCHEMBL31389236 0.78 MAPT (0.58) KMT2AKDM4EMAPTSMN1; SMN2ADAM17
SCHEMBL31389265 0.78 MAPT (0.50) MAPTSMN1; SMN2ADAM17
SCHEMBL31389296 0.78 ALOX15 (0.52) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL31389289 0.78 MAPT (0.58) MAPTADAM17
SCHEMBL17769171 0.78 LMNA (0.50) MAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL6080447 0.77 SMN1; SMN2 (0.54) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL31389290 0.76 ALOX15 (0.47) MAPTRAB9AADAM17

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 CYP11B1 633/4885CYP11B2 477/4885MEN1 740/4885

“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.

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