SCHEMBL396140

SCHEMBL396140

CC1=CCc2ccccc2C1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.50
CES1 P23141 2/20 0.50
BCHE P06276 1/20 0.47
ALDH1A1 P00352 7/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
MAPT P10636 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 2/20 0.45
CDC25B P30305 2/20 0.45
TP53 P04637 2/20 0.45
IDO1 P14902 2/20 0.45
MAOB P27338 2/20 0.45
PLIN1 O60240 1/20 0.45
NR1I2 O75469 1/20 0.45
USP2 O75604 1/20 0.45
GSR P00390 1/20 0.45
LMNA P02545 1/20 0.45
CYP3A4 P08684 1/20 0.45

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
SCHEMBL308273 0.82 HTR6 (0.40) MAOACES1BCHEALDH1A1SMN1; SMN2
SCHEMBL27596873 0.80 HTR6 (0.39) MAOACES1BCHEALDH1A1SMN1; SMN2
SCHEMBL3684627 0.80 HTR6 (0.39) MAOACES1BCHEALDH1A1SMN1; SMN2
Lithium SCHEMBL3684629 0.80 HTR6 (0.39) MAOACES1BCHEALDH1A1SMN1; SMN2
SCHEMBL787473 0.77 MEN1 (0.37) MAOACES1ALDH1A1MEN1KMT2A
SCHEMBL8344964 0.76 METAP1 (0.53) MAOAALDH1A1SMN1; SMN2MAOBACHE
SCHEMBL6552234 0.75 CES1 (0.56) MAOACES1BCHEALDH1A1MEN1
SCHEMBL9321655 0.75 MAOA (0.50) MAOACES1BCHEALDH1A1MEN1
SCHEMBL14054414 0.75 MAOA (0.50) MAOACES1BCHEALDH1A1MEN1
SCHEMBL2566227 0.75 CES1 (0.50) MAOACES1BCHEALDH1A1MEN1

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 58 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2222308-A1 N-ACYLHYDRAZONE DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS NeuroSearch AS (DK) 2010-09-01 EP claimed
EP-2212285-A1 N-ACYLHYDRAZONE DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS NeuroSearch A/S (DK) 2010-08-04 EP claimed
WO-2009065854-A1 N-ACYLHYDRAZONE DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2009-05-28 WO claimed
WO-2009065850-A1 N-ACYLHYDRAZONE DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2009-05-28 WO claimed
US-20140221405-A1 PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2014-08-07 US disclosed
US-8524721-B2 Platelet ADP receptor inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2013-09-03 US disclosed
US-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
US-8101649-B2 N-acylhydrazone derivatives useful as modulators of nicotinic acetylcholine receptors NEUROSEARCH A/S (DK) 2012-01-24 US disclosed
US-8067428-B2 Platelet ADP receptor inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2011-11-29 US disclosed
US-20110105597-A1 Modulation of pathogenicity QUONOVA, LLC 2011-05-05 US disclosed
US-20110105597-A1 Modulation of pathogenicity QUONOVA, LLC 2011-05-05 US disclosed
US-20100280034-A1 Modulation of pathogenicity QUONOVA, LLC 2010-11-04 US disclosed
US-20070197492-A1 Modulation of Pathogenicity QUONOVA, LLC 2007-08-23 US disclosed
US-20070196340-A1 Modulation of Pathogenicity QUONOVA, LLC 2007-08-23 US disclosed
US-20070093534-A1 Modulation of Pathogenicity QUONOVA, LLC 2007-04-26 US disclosed
US-20070093534-A1 Modulation of Pathogenicity QUONOVA, LLC 2007-04-26 US disclosed
EP-0381290-B1 Use of a fungicidal composition for the curative treatment of fungal diseases in plants SHELL INT RESEARCH (NL) 1995-05-03 EP disclosed
US-5304376-A Acrylic acid morpholide compound dispersed in polymer having melting point below degradation temperature of polymer SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 1994-04-19 US disclosed
EP-0381290-A2 Use of a fungicidal composition for the curative treatment of fungal diseases in plants SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1990-08-08 EP disclosed
EP-0247513-A1 Process for producing 2-methyl-1,4-naphthoquinone Eisai Chemical Co., Ltd. (JP) 1987-12-02 EP 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 (7 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-20070197492-A1 Modulation of Pathogenicity ANTXR2, Q6ZSR9, PGLS MAOA 976/4885CES1 3118/4885BCHE 2787/4885
US-20070093534-A1 Modulation of Pathogenicity NR1H4, NR1I3, NR1H2 MAOA 3136/4885CES1 1689/4885BCHE 2540/4885
US-20110105597-A1 Modulation of pathogenicity NR4A1, NR4A2, NR4A3 MAOA 1119/4885CES1 1693/4885BCHE 3391/4885
US-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, GP6, P2RY6 MAOA 3785/4885CES1 1296/4885BCHE 3843/4885
US-20100280034-A1 Modulation of pathogenicity NR1H4, NR1I3, NR1H2 MAOA 3136/4885CES1 1689/4885BCHE 2540/4885
US-20140221405-A1 PLATELET ADP RECEPTOR INHIBITORS PTAFR, ADGRF1, P2RY6 MAOA 3054/4885CES1 2363/4885BCHE 4038/4885
US-20070196340-A1 Modulation of Pathogenicity NR1H4, NR1I3, NR1H2 MAOA 3136/4885CES1 1689/4885BCHE 2540/4885

“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.