SCHEMBL6080282

SCHEMBL6080282

COC(=O)c1cc(OCc2ccccc2)c2c(C#CCOCc3ccccc3)ccc([N+](=O)[O-])c2n1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSV O60911 3/20 0.39
CTSL P07711 3/20 0.39
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
APP P05067 2/20 0.38
KMT2A Q03164 5/20 0.37
CYP19A1 P11511 1/20 0.37
MEN1 O00255 4/20 0.37
ALDH1A1 P00352 3/20 0.36
MYC P01106 1/20 0.36
MAX P61244 1/20 0.36
LMNA P02545 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NOTUM Q6P988 1/20 0.35

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
SCHEMBL6597779 0.91 CTSV (0.41) CTSVCTSLAPPCYP19A1MYC
SCHEMBL6080721 0.89 CTSV (0.41) CTSVCTSLMAPTSMN1; SMN2APP
SCHEMBL6080108 0.83 APP (0.41) CTSVCTSLMAPTSMN1; SMN2APP
SCHEMBL6080639 0.82 APP (0.43) MAPTSMN1; SMN2APPKMT2AMEN1
SCHEMBL6079964 0.82 SMN1; SMN2 (0.44) CTSVCTSLMAPTSMN1; SMN2APP
SCHEMBL6080467 0.81 CYP19A1 (0.44) CTSVCTSLMAPTSMN1; SMN2APP
SCHEMBL6590188 0.79 CTSV (0.43) CTSVCTSLAPPCYP19A1MYC
SCHEMBL6590202 0.79 CTSV (0.43) CTSVCTSLAPPCYP19A1MYC
SCHEMBL6079449 0.78 ALDH1A1 (0.45) MAPTSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL6079785 0.78 HDAC3 (0.40) MAPTSMN1; SMN2ALDH1A1LMNANOTUM

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 CTSV 1695/4885CTSL 3040/4885MAPT 1575/4885

“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.