SCHEMBL2284171

SCHEMBL2284171

COC(=O)c1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.67
HPGD P15428 2/20 0.67
L3MBTL1 Q9Y468 2/20 0.67
GLA P06280 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
MAPT P10636 1/20 0.58
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
FGFR1 P11362 1/20 0.47
KDM4E B2RXH2 2/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GABRA1 P14867 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA3 P34903 1/20 0.46
NR4A2 P43354 1/20 0.45
EGFR P00533 2/20 0.44
SRC P12931 1/20 0.44

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
SCHEMBL10993388 0.87 ALDH1A1 (0.55) ALDH1A1HPGDL3MBTL1GLATDP1
SCHEMBL28544550 0.84 ALDH1A1 (0.64) ALDH1A1HPGDL3MBTL1GLATDP1
SCHEMBL10746787 0.78 HPGD (0.64) ALDH1A1HPGDL3MBTL1GLATDP1
SCHEMBL10986557 0.75 KDM4E (0.54) ALDH1A1HPGDL3MBTL1MAPTKMT2A
SCHEMBL7812395 0.73 CYP11B2 (0.58) ALDH1A1HPGDL3MBTL1GLATDP1
SCHEMBL22004148 0.73 KMT2A (0.54) ALDH1A1HPGDL3MBTL1GLATDP1
SCHEMBL28369714 0.73 GABRA1 (0.50) ALDH1A1HPGDL3MBTL1GLATDP1
SCHEMBL22022202 0.73 PLA2G2A (0.52) ALDH1A1HPGDL3MBTL1GLATDP1
SCHEMBL13006958 0.72 SCN9A (0.53) ALDH1A1HPGDL3MBTL1GLATDP1
SCHEMBL15687530 0.72 ALDH1A1 (0.50) ALDH1A1HPGDL3MBTL1GLATDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110207732-A1 AZAINDOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-08-25 US claimed
US-20110207732-A1 AZAINDOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-08-25 US disclosed
WO-2010046013-A1 AZAINDOLE DERIVATIVE MERCK PATENT GMBH (DE) 2010-04-29 WO 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-20110207732-A1 AZAINDOLE DERIVATIVES AZI2, ABL1, RET ALDH1A1 2134/4885HPGD 4063/4885L3MBTL1 1289/4885

“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.