SCHEMBL254443

SCHEMBL254443

CNCc1ccc(-c2ccc(OC)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.55
ALDH1A1 P00352 1/20 0.53
PKM P14618 1/20 0.53
CHRM2 P08172 1/20 0.52
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
MAPT P10636 3/20 0.50
LTA4H P09960 1/20 0.50
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
IDO1 P14902 1/20 0.48
ESR2 Q92731 1/20 0.48
CLK4 Q9HAZ1 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL9831 0.94 ALDH1A1 (0.59) ALDH1A1PKMCHRM2NPC1RAB9A
Hydrochloric Acid SCHEMBL5057702 0.91 ALDH1A1 (0.57) ALDH1A1PKMCHRM2NPC1RAB9A
Methylene Chloride SCHEMBL28316865 0.88 ALDH1A1 (0.53) ALDH1A1PKMCHRM2NPC1RAB9A
SCHEMBL13184538 0.84 KDM4E (0.59) ALDH1A1RAB9AMAPTKMT2AMEN1
SCHEMBL28674781 0.82 LOXL2 (0.55) MAOBALDH1A1PKMCHRM2NPC1
SCHEMBL25986535 0.82 LTA4H (0.71) MAOBALDH1A1LTA4HIDO1ESR2
SCHEMBL22451382 0.82 LTA4H (0.71) MAOBALDH1A1LTA4HIDO1ESR2
SCHEMBL6059611 0.82 LTA4H (0.71) MAOBALDH1A1LTA4HIDO1ESR2
SCHEMBL10077131 0.82 PRMT6 (0.61) MAOBALDH1A1CHRM2HTT
SCHEMBL9587169 0.80 PKM (0.66) ALDH1A1PKMGAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230117680-A1 CYCLOPHILIN D INHIBITORS AND USES THEREOF THE BROAD INSTITUTE, INC. (US) 2023-04-20 US disclosed
US-9777320-B2 Molecular adaptors for dye conjugates PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2017-10-03 US disclosed
US-9499862-B2 Phospholinked dye analogs with an amino acid linker PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2016-11-22 US disclosed
US-20150197794-A1 Phospholinked Dye Analogs with an Amino Acid Linker PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2015-07-16 US disclosed
US-8993737-B2 Phospholinked dye analogs with an amino acid linker PACIFIC BIOSCIENCES, INC. (US) 2015-03-31 US disclosed
US-20120058473-A1 Molecular Adaptors for Dye Conjugates PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2012-03-08 US disclosed
US-20120052507-A1 PHOSPHOLINKED DYE ANALOGS WITH AN AMINO ACID LINKER PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2012-03-01 US disclosed
EP-1479671-B1 Pyrimidinone compounds SMITHKLINE BEECHAM PLC (GB) 2009-05-27 EP disclosed
US-7115616-B2 Pyrimidinone compounds SMITHKLINE BEECHAM PLC (GB) 2006-10-03 US disclosed
US-6953803-B1 1-[(N-(2-(diethylamino)ethyl)-N-(4-(4-trifluoromethylphenyl)benzyl)aminocarbonylmethyl)]-2-(4-fluorobenzyl)thio-5-(1-methyl-4-pyrazolylmethyl)pyrimidin-4-one; enzyme inhibitors of lipoprotein associated phospholipase A2 (Lp-PLA2); atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 2005-10-11 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 (4 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-20120052507-A1 PHOSPHOLINKED DYE ANALOGS WITH AN AMINO ACID LINKER CHAMP1, MTAP, INCENP MAOB 4798/4885ALDH1A1 1938/4885PKM 1806/4885
US-20230117680-A1 CYCLOPHILIN D INHIBITORS AND USES THEREOF PPID, PPIF, PPIL1 MAOB 838/4885ALDH1A1 2173/4885PKM 699/4885
US-20120058473-A1 Molecular Adaptors for Dye Conjugates ALKBH1, ALKBH5, ALKBH3 MAOB 4717/4885ALDH1A1 1427/4885PKM 3443/4885
US-20150197794-A1 Phospholinked Dye Analogs with an Amino Acid Linker INCENP, CHAMP1, PNKP MAOB 4786/4885ALDH1A1 2694/4885PKM 702/4885

“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.