SCHEMBL6080447

SCHEMBL6080447

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
MAPT P10636 6/20 0.50
KDM4E B2RXH2 5/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.50
GLA P06280 1/20 0.50
TNNI3 P19429 1/20 0.50
TNNT2 P45379 1/20 0.50
TNNC1 P63316 1/20 0.50
RUNX1 Q01196 1/20 0.50
CBFB Q13951 1/20 0.50
PABPC1 P11940 1/20 0.48
ELANE P08246 1/20 0.45
ALDH1A1 P00352 2/20 0.44
CDK1 P06493 1/20 0.44
NQO2 P16083 1/20 0.44
TDP1 Q9NUW8 2/20 0.42
ROCK2 O75116 1/20 0.42

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
SCHEMBL6593084 0.86 KDM4E (0.53) SMN1; SMN2MAPTKDM4EMEN1KMT2A
SCHEMBL2909268 0.83 LCK (0.44) SMN1; SMN2MAPTKDM4EMEN1KMT2A
SCHEMBL2908924 0.81 KDM4E (0.49) MAPTKDM4EALDH1A1NQO2LCK
SCHEMBL2907089 0.80 GRM2 (0.46) SMN1; SMN2MAPTKDM4EKMT2ARAB9A
SCHEMBL2904899 0.79 EGFR (0.46) KMT2ANQO2EGFRLCK
Hydrochloric Acid SCHEMBL3330671 0.79 GRM2 (0.45) SMN1; SMN2MAPTKDM4EKMT2ARAB9A
SCHEMBL2906714 0.79 L3MBTL1 (0.47) SMN1; SMN2MAPTKMT2ARAB9AALDH1A1
SCHEMBL2907172 0.79 LCK (0.43) SMN1; SMN2MAPTKDM4EMEN1KMT2A
SCHEMBL562343 0.79 BACE1 (0.47) MAPTKDM4EGLAALDH1A1LCK
SCHEMBL2908954 0.78 ELANE (0.43) KDM4EELANEALDH1A1LCK

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 1575/4885KDM4E 1006/4885

“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.