SCHEMBL96202

SCHEMBL96202

COc1cc(C)ccc1/C=N/O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.50
ACHE P22303 1/20 0.50
HPGD P15428 3/20 0.49
MAPT P10636 3/20 0.49
HTT P42858 2/20 0.46
MAPK1 P28482 1/20 0.44
GRIN2D O15399 2/20 0.44
GRIN3B O60391 2/20 0.44
GRIN1 Q05586 2/20 0.44
GRIN2A Q12879 2/20 0.44
GRIN2B Q13224 2/20 0.44
GRIN2C Q14957 2/20 0.44
GRIN3A Q8TCU5 2/20 0.44
GFER P55789 1/20 0.43
ALDH1A1 P00352 7/20 0.42
CYP1A2 P05177 3/20 0.42
CYP3A4 P08684 2/20 0.42
NPC1 O15118 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 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
SCHEMBL20125076 0.85 ACHE (0.50) LMNAACHEHPGDMAPTHTT
SCHEMBL12638766 0.81 APP (0.53) LMNAHPGDMAPTHTTGRIN2D
SCHEMBL12635852 0.81 APP (0.53) LMNAHPGDMAPTHTTGRIN2D
SCHEMBL2009040 0.81 GRIN2D (0.64) LMNAHPGDMAPTHTTMAPK1
SCHEMBL8237102 0.81 GRIN2D (0.64) LMNAHPGDMAPTHTTMAPK1
SCHEMBL30481109 0.81 GRIN2D (0.64) LMNAHPGDMAPTHTTMAPK1
SCHEMBL2009041 0.81 GRIN2D (0.64) LMNAHPGDMAPTHTTMAPK1
SCHEMBL5930199 0.80 HPGD (0.55) LMNAHPGDMAPTHTTMAPK1
SCHEMBL5930200 0.80 HPGD (0.55) LMNAHPGDMAPTHTTMAPK1
SCHEMBL27689860 0.80 LMNA (0.50) LMNAHPGDMAPTHTTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170008922-A1 BRANCHED CHAIN-CONTAINING AROMATIC COMPOUND AJINOMOTO CO., INC. (JP) 2017-01-12 US disclosed
US-9499579-B2 Branched chain-containing aromatic compound AJINOMOTO CO., INC. (JP) 2016-11-22 US disclosed
US-9371353-B2 Oligonucleotide with protected base AJINOMOTO CO., INC. (JP) 2016-06-21 US disclosed
US-20150080565-A1 OLIGONUCLEOTIDE WITH PROTECTED BASE AJINOMOTO CO., INC. (JP) 2015-03-19 US disclosed
US-8846885-B2 Oligonucleotide with protected base AJINOMOTO CO., INC. (JP) 2014-09-30 US disclosed
US-8546534-B2 Branched chain-containing aromatic compound AJINOMOTO CO., INC. (JP) 2013-10-01 US disclosed
US-8440706-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-14 US disclosed
US-20120059149-A1 BRANCHED CHAIN-CONTAINING AROMATIC COMPOUND AJINOMOTO CO. INC. (JP) 2012-03-08 US disclosed
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-28 US disclosed
US-20110165120-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-07 US disclosed
US-7964624-B1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-21 US disclosed
US-20090203667-A1 PENTADIENAMIDE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2009-08-13 US disclosed
US-20090203667-A1 PENTADIENAMIDE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2009-08-13 US 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 (6 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-20120059149-A1 BRANCHED CHAIN-CONTAINING AROMATIC COMPOUND VIP, BCAT2, IAPP LMNA 1688/4885ACHE 1770/4885HPGD 3168/4885
US-20150080565-A1 OLIGONUCLEOTIDE WITH PROTECTED BASE POLRMT, POLN, RNGTT LMNA 712/4885ACHE 4841/4885HPGD 4693/4885
US-20170008922-A1 BRANCHED CHAIN-CONTAINING AROMATIC COMPOUND VIP, IAPP, BCAT1 LMNA 2252/4885ACHE 2288/4885HPGD 4197/4885
US-20110165120-A1 INHIBITORS OF SERINE PROTEASES PRSS1, PRSS3, PRSS2 LMNA 2814/4885ACHE 2639/4885HPGD 1806/4885
US-20090203667-A1 PENTADIENAMIDE DERIVATIVES PRMT1, REN, NGLY1 LMNA 3654/4885ACHE 1750/4885HPGD 2011/4885
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 LMNA 2850/4885ACHE 3189/4885HPGD 1824/4885

“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.