SCHEMBL631252

SCHEMBL631252

CC(=O)c1ccc(OCCN(C)C)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.70
GAA P10253 1/20 0.68
MAOB P27338 2/20 0.60
MAPT P10636 4/20 0.58
ALDH1A1 P00352 2/20 0.58
ESR1 P03372 3/20 0.58
BCHE P06276 1/20 0.57
ACHE P22303 1/20 0.57
HRH3 Q9Y5N1 1/20 0.56
POLB P06746 2/20 0.54
ESRRB O95718 1/20 0.54
LMNA P02545 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
KEAP1 Q14145 1/20 0.54
NFE2L2 Q16236 1/20 0.54
LTA4H P09960 1/20 0.54
CYP2D6 P10635 2/20 0.54
KDM4E B2RXH2 1/20 0.54
MEN1 O00255 1/20 0.54
NPC1 O15118 1/20 0.54

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
Hydrochloric Acid SCHEMBL5412869 0.98 L3MBTL1 (0.68) L3MBTL1GAAMAOBMAPTALDH1A1
SCHEMBL10676201 0.95 L3MBTL1 (0.64) L3MBTL1GAAMAOBMAPTALDH1A1
SCHEMBL14287626 0.91 L3MBTL1 (0.73) L3MBTL1GAAMAOBMAPTALDH1A1
SCHEMBL6057420 0.87 ESR1 (0.59) GAAMAPTALDH1A1ESR1BCHE
SCHEMBL1981044 0.86 PKM (0.62) MAPTALDH1A1ESR1BCHEACHE
SCHEMBL834525 0.85 L3MBTL1 (0.88) L3MBTL1GAAMAOBMAPTALDH1A1
SCHEMBL9360319 0.84 GAA (0.71) L3MBTL1GAAMAOBMAPTALDH1A1
Hydrochloric Acid SCHEMBL5070229 0.84 PKM (0.61) MAPTALDH1A1ESR1BCHEACHE
SCHEMBL3018123 0.84 PARP10 (0.62) MAPTALDH1A1ESR1BCHEACHE
SCHEMBL5681601 0.84 HRH3 (0.56) MAPTALDH1A1ESR1BCHEACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8410163-B2 Substituted 4-amino-5-benzoyl-2-(phenylamino)thiophene-3-carbonitriles and substituted 4-amino-5-benzoyl-2-(phenylamino)thiophene-3-carboxamides as tubulin polymerization inhibitors TELIK, INC. (US) 2013-04-02 US disclosed
US-20120101286-A1 SUBSTITUTED 4-AMINO-5-BENZOYL-2-(PHENYLAMINO)THIOPHENE-3-CARBONITRILES AND SUBSTITUTED 4-AMINO-5-BENZOYL-2-(PHENYLAMINO)THIOPHENE-3-CARBOXAMIDES AS TUBULIN POLYMERIZATION INHIBITORS TELIK INC. (US) 2012-04-26 US disclosed
EP-2419424-A2 Substituted 4-amino-5-benzoyl-2-(phenylamino)thiophene-3-carbonitriles and substituted 4-amino-5-benzoyl-2-(phenylamino)thiophene-3-carboxamides as tubulin polymerization inhibitors Telik, Inc. (US) 2012-02-22 EP disclosed
WO-2010120400-A2 Substituted 4-amino-5-benzoyl-2-(phenylamino)thiophene-3-carbonitriles and substituted 4-amino-5-benzoyl-2-(phenylamino)thiophene-3-carboxamides as tubulin polymerization inhibitors TELIK, INC. (US) 2010-10-21 WO disclosed
US-7446106-B2 Pyridylfurans and pyrroles as Raf kinase inhibitors SMITHKLINE BEECHAM PLC (GB) 2008-11-04 US disclosed
US-7297694-B2 Pyridylfurans and pyrroles as Raf kinase inhibitors SMITHKLINE BEECHUM P.L.C. (GB) 2007-11-20 US disclosed
US-20040254186-A1 Pyridylfurans and pyrroles as raf kinase inhibitors SMITHKLINE BEECHAM P.L.C. (GB) 2004-12-16 US disclosed
US-20040198730-A1 Pyridylfurans and pyrroles as raf kinase inhibitors SMITHKLINE BEECHAM P.L.C. (GB) 2004-10-07 US disclosed
EP-1432699-A1 PYRIDYLFURANS AND PYRROLES AS RAF KINASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2004-06-30 EP disclosed
EP-1432697-A1 PYRIDYLFURANS AND PYRROLES AS RAF KINASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2004-06-30 EP disclosed
WO-2003022832-A1 PYRIDYLFURANS AND PYRROLES AS RAF KINASE INHIBITORS SMITHKLINE BEECHAM P.L.C. (GB) 2003-03-20 WO disclosed
WO-2003022833-A1 PYRIDYLFURANS AND PYRROLES AS RAF KINASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2003-03-20 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 (3 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-20120101286-A1 SUBSTITUTED 4-AMINO-5-BENZOYL-2-(PHENYLAMINO)THIOPHENE-3-CARBONITRILES AND SUBSTITUTED 4-AMINO-5-BENZOYL-2-(PHENYLAMINO)THIOPHENE-3-CARBOXAMIDES AS TUBULIN POLYMERIZATION INHIBITORS TUBB3, TUBB4A, TUBB L3MBTL1 2760/4885GAA 2465/4885MAOB 3688/4885
US-20040198730-A1 Pyridylfurans and pyrroles as raf kinase inhibitors BRAF, ARAF, RAF1 L3MBTL1 3382/4885GAA 4449/4885MAOB 827/4885
US-20040254186-A1 Pyridylfurans and pyrroles as raf kinase inhibitors BRAF, ARAF, RAF1 L3MBTL1 3382/4885GAA 4449/4885MAOB 827/4885

“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.