SCHEMBL5409978

SCHEMBL5409978

CC(C)(C)OC(=O)c1cccc2c(C=O)c[nH]c12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM3 Q86V86 8/20 0.60
PIM1 P11309 7/20 0.60
TRIM24 O15164 1/20 0.52
TRIM33 Q9UPN9 1/20 0.52
CLEC4M Q9H2X3 1/20 0.44
MAPT P10636 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PIM2 Q9P1W9 2/20 0.42
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
CYP2A6 P11509 1/20 0.40
IMPDH2 P12268 1/20 0.40
NR4A2 P43354 2/20 0.39
RRM1 P23921 1/20 0.38

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
SCHEMBL5415543 0.85 PIM1 (0.81) PIM3PIM1TRIM24TRIM33CLEC4M
SCHEMBL5418014 0.81 CLEC4M (0.67) PIM3PIM1TRIM24TRIM33CLEC4M
SCHEMBL5414352 0.81 CLEC4M (0.46) PIM3PIM1CLEC4MMAPTKDM4E
SCHEMBL5416790 0.81 NR4A2 (0.49) PIM3PIM1CLEC4MMAPTKDM4E
SCHEMBL5417964 0.81 CLEC4M (0.46) PIM3PIM1CLEC4MMAPTKDM4E
SCHEMBL2215173 0.80 POLB (0.52) PIM3PIM1TRIM24TRIM33ALDH1A1
SCHEMBL1935692 0.79 PIM1 (0.39) PIM3PIM1MAPTALDH1A1KMT2A
SCHEMBL2220800 0.78 TRIM24 (0.58) PIM3PIM1TRIM24TRIM33KDM4E
SCHEMBL29950729 0.78 TRIM24 (0.58) PIM3PIM1TRIM24TRIM33KDM4E
SCHEMBL5404704 0.77 DYRK1A (0.49) PIM3PIM1CLEC4MMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7312342-B2 Process for the preparation of (3-cyano-1h-indol-7-yl) (4-(4-fluorophenethyl) piperazin-1-yl)-methanone and salts thereof MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2007-12-25 US disclosed
CN-1213029-C Process for the preparation of (3-cyano-1H-indol-7-yl) (4-(4-fluorophenethyl)piperazin-1-yl)-methanone and salts thereof MERCH PATENT GMBH (DE) 2005-08-03 CN disclosed
EP-1353906-B1 PROCESS FOR THE PREPARATION OF (3-CYANO-1H-INDOL-7-YL)(4-(4-FLUOROPHENETHYL)PIPERAZIN-1-YL)-METHANONE AND SALTS THEREOF MERCK PATENT GMBH (DE) 2004-06-23 EP disclosed
CN-1487923-A Process for the preparation of (3-cyano-1H-indol-7-yl) (4- (4-fluorophenethyl) piperazin-1-yl) -methanone and salts thereof Ĭ��ר���ɷ����޹�˾ 2004-04-07 CN disclosed
US-20040063723-A1 Process for the preparation of (3-cyano-1h-indol-7-yl) (4-(4-fluorophenethyl) piperazin-1-yl)- methanone and salts thereof MERCK PATENT GMBH (DE) 2004-04-01 US disclosed
EP-1353906-A1 PROCESS FOR THE PREPARATION OF (3-CYANO-1H-INDOL-7-YL)(4-(4-FLUOROPHENETHYL)PIPERAZIN-1-YL)-METHANONE AND SALTS THEREOF MERCK PATENT GmbH (DE) 2003-10-22 EP disclosed
WO-2002059092-A1 PROCESS FOR THE PREPARATION OF (3-CYANO-1H-INDOL-7-YL)(4-(4-FLUOROPHENETHYL)PIPERAZIN-1-YL)-METHANONE AND SALTS THEREOF MERCK PATENT GMBH (DE) 2002-08-01 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-20040063723-A1 Process for the preparation of (3-cyano-1h-indol-7-yl) (4-(4-fluorophenethyl) piperazin-1-yl)- methanone and salts thereof TPH1, TPH2, IDO1 PIM3 847/4885PIM1 597/4885TRIM24 2693/4885

“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.