SCHEMBL679246

SCHEMBL679246

COc1cccc(Oc2ccc3c4ccccc4n(C)c3n2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.50
HSD17B10 Q99714 3/20 0.50
ALDH1A1 P00352 3/20 0.50
MAPT P10636 3/20 0.50
KDM4E B2RXH2 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HPGD P15428 2/20 0.50
HTT P42858 2/20 0.50
TP53 P04637 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
BRCA1 P38398 1/20 0.43
HBB P68871 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
GSK3B P49841 1/20 0.41
LMNA P02545 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TSHR P16473 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL679316 0.82 MAPT (0.51) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL676186 0.80 POLB (0.41) L3MBTL1HSD17B10ALDH1A1MAPTKDM4E
SCHEMBL677933 0.72 L3MBTL1 (0.45) L3MBTL1HSD17B10ALDH1A1MAPTKDM4E
SCHEMBL29202709 0.72 ALDH1A1 (0.57) L3MBTL1HSD17B10ALDH1A1MAPTKDM4E
SCHEMBL15465809 0.71 L3MBTL1 (0.80) L3MBTL1HSD17B10ALDH1A1MAPTKDM4E
SCHEMBL31744635 0.69 L3MBTL1 (0.56) L3MBTL1HSD17B10ALDH1A1MAPTKDM4E
SCHEMBL31277034 0.68 MAPT (0.69) L3MBTL1HSD17B10ALDH1A1MAPTKDM4E
SCHEMBL17109976 0.68 GPR3 (0.54) L3MBTL1HSD17B10ALDH1A1MAPTKDM4E
SCHEMBL15465959 0.68 L3MBTL1 (1.00) L3MBTL1HSD17B10ALDH1A1MAPTKDM4E
SCHEMBL31744794 0.67 PRKCA (0.49) L3MBTL1HSD17B10ALDH1A1MAPTKDM4E

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-8895744-B2 Alfa-carboline inhibitors of NPM-ALK, RET, and Bcr-Abl UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) 2014-11-25 US disclosed
US-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL UNIVERSITA' DEGLI STUDI DI MILANO - BICOCCA (IT) 2011-11-17 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-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL ALK, BCR, NPM1 L3MBTL1 1883/4885HSD17B10 2928/4885ALDH1A1 749/4885

“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.