SCHEMBL6079964

SCHEMBL6079964

COC(=O)c1cc(OCc2ccccc2)c2c(Br)ccc([N+](=O)[O-])c2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 4/20 0.43
CTSV O60911 3/20 0.42
CTSL P07711 3/20 0.42
KMT2A Q03164 4/20 0.41
CYP19A1 P11511 1/20 0.41
APP P05067 1/20 0.41
MEN1 O00255 3/20 0.41
ALDH1A1 P00352 2/20 0.40
MYC P01106 1/20 0.40
MAX P61244 1/20 0.40
LMNA P02545 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NOTUM Q6P988 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 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
SCHEMBL6590313 0.90 CTSV (0.44) CTSVCTSLCYP19A1APPMYC
SCHEMBL6590323 0.90 CTSV (0.44) CTSVCTSLCYP19A1APPMYC
SCHEMBL6080467 0.87 CYP19A1 (0.44) SMN1; SMN2MAPTCTSVCTSLKMT2A
SCHEMBL6080721 0.84 CTSV (0.41) SMN1; SMN2MAPTCTSVCTSLKMT2A
SCHEMBL6079449 0.84 ALDH1A1 (0.45) SMN1; SMN2MAPTKMT2AMEN1ALDH1A1
SCHEMBL6079319 0.82 APP (0.45) SMN1; SMN2MAPTCTSVCTSLKMT2A
SCHEMBL6080282 0.82 CTSV (0.39) SMN1; SMN2MAPTCTSVCTSLKMT2A
SCHEMBL6081198 0.82 ALDH1A1 (0.56) SMN1; SMN2MAPTKMT2AMEN1ALDH1A1
SCHEMBL6080179 0.79 LMNA (0.39) MAPTKMT2AAPPMEN1MYC
SCHEMBL6080412 0.79 LMNA (0.47) SMN1; SMN2LMNANPC1RAB9ANOTUM

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 SMN1; SMN2 2666/4885MAPT 1575/4885CTSV 1695/4885

“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.