SCHEMBL4690527

SCHEMBL4690527

CC(=O)OCCc1cccc(N)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.50
MAOB P27338 2/20 0.50
CYP19A1 P11511 1/20 0.49
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
ALDH1A1 P00352 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
TP53 P04637 1/20 0.43
GLA P06280 1/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HIF1A Q16665 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TYR P14679 1/20 0.42
GRM2 Q14416 1/20 0.42
GRM3 Q14832 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
SCHEMBL6696643 0.89 MAOA (0.46) MAOAMAOBCYP19A1ALDH1A1GLS
SCHEMBL6689368 0.88 MAOA (0.45) MAOAMAOBCYP19A1TSHR
SCHEMBL6696590 0.88 MAOA (0.45) MAOAMAOBCYP19A1TSHR
SCHEMBL3878665 0.85 LMNA (0.53) MAOAMAOBCYP19A1NPC1RAB9A
SCHEMBL19980993 0.84 MAOB (0.45) MAOAMAOBCYP19A1NPC1RAB9A
SCHEMBL5180704 0.84 MAOA (0.41) MAOAMAOBCYP19A1TSHR
SCHEMBL5182130 0.84 LMNA (0.43) MAOAMAOBCYP19A1ALDH1A1TSHR
SCHEMBL5181169 0.84 MAOA (0.41) MAOAMAOBCYP19A1TSHR
SCHEMBL28137045 0.84 MAOA (0.47) MAOAMAOBCYP19A1NPC1RAB9A
SCHEMBL5626293 0.83 LOXL2 (0.49) NPC1RAB9AALDH1A1L3MBTL1TP53

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
EP-2594554-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Dainippon Sumitomo Pharma Co., Ltd. (JP) 2013-05-22 EP disclosed
US-20130116227-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-05-09 US disclosed
WO-2012008435-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF 大日本住友製薬株式会社 (JP) 2012-01-19 WO disclosed
EP-1560829-B1 PYRIMIDO COMPOUNDS HAVING ANTIPROLIFERATIVE ACTIVITY (II) HOFFMANN LA ROCHE (CH) 2008-02-20 EP disclosed
EP-1560829-B1 PYRIMIDO COMPOUNDS HAVING ANTIPROLIFERATIVE ACTIVITY (II) HOFFMANN LA ROCHE (CH) 2008-02-20 EP disclosed
US-7129351-B2 Pyrimido compounds having antiproliferative activity HOFFMANN-LA ROCHE INC. (US) 2006-10-31 US disclosed
CN-1711266-A Pyrimido compounds (II) having antiproliferative activity HOFFMANN LA ROCHE (CH) 2005-12-21 CN disclosed
EP-1560829-A1 PYRIMIDO COMPOUNDS HAVING ANTIPROLIFERATIVE ACTIVITY (II) F. HOFFMANN-LA ROCHE AG (CH) 2005-08-10 EP disclosed
WO-2004106292-A1 HALOETHYL UREA COMPOUNDS AND THEIR USE TO ATTENUATE, INHIBIT OR PREVENT NON-CANCEROUS PATHOGENIC CELLULAR PROLIFERATION AND DISEASES ASSOCIATED THEREWITH IMOTEP INC. (CA) 2004-12-09 WO disclosed
WO-2004106291-A1 HALOETHYL UREA COMPOUNDS AND THE USE THEREOF TO ATTENUATE, INHIBIT OR PREVENT CANCER CELL MIGRATION IMOTEP INC. (CA) 2004-12-09 WO disclosed
US-20040110773-A1 Pyrimido compounds having antiproliferative activity HOFFMANN-LA ROCHE INC. 2004-06-10 US disclosed
WO-2004041821-A1 PYRIMIDO COMPOUNDS HAVING ANTIPROLIFERATIVE ACTIVITY (II) F. HOFFMANN-LA ROCHE AG (CH) 2004-05-21 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 (2 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-20130116227-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF MC2R, NR3C2, REN MAOA 1420/4885MAOB 1077/4885CYP19A1 392/4885
US-20040110773-A1 Pyrimido compounds having antiproliferative activity SRC, LYN, TK1 MAOA 1388/4885MAOB 1168/4885CYP19A1 2067/4885

“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.