SCHEMBL8327622

SCHEMBL8327622

COc1cc[c]c(-c2ccc(F)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.43
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
APP P05067 1/20 0.41
NFE2L2 Q16236 4/20 0.40
MAPK14 Q16539 1/20 0.40
NQO2 P16083 1/20 0.40
MAPT P10636 3/20 0.38
TP53 P04637 1/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
ALOX15 P16050 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HTT P42858 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
TDP1 Q9NUW8 2/20 0.37

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
SCHEMBL459934 0.87 CA12 (0.44) MAOBNPC1RAB9AAPPMAPT
SCHEMBL5322041 0.86 MAOB (0.42) MAOBNPC1RAB9AAPPNFE2L2
SCHEMBL5622659 0.84 ACHE (0.45) MAOBNPC1RAB9AMAPTMEN1
SCHEMBL16719334 0.83 NFE2L2 (0.46) MAOBNPC1RAB9ANFE2L2MAPK14
SCHEMBL3262111 0.82 ESR2 (0.52) NPC1RAB9AAPPNQO2MAPT
SCHEMBL11205461 0.82 APP (0.39) MAOBNPC1RAB9AAPPMAPK14
SCHEMBL10918406 0.82 CYP11B1 (0.44) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL4468568 0.82 MEN1 (0.40) MAOBRAB9AMAPTTP53MEN1
SCHEMBL6841236 0.82 MEN1 (0.38) NPC1RAB9AMAPTMEN1ALOX15
SCHEMBL7033071 0.81 CA4 (0.43) NPC1RAB9AMAPTTP53MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190023709-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO AQUINOX PHARMACEUTICALS CANADA INC (CA) 2019-01-24 US disclosed
US-10100056-B2 SHIP1 modulators and methods related thereto AQUINOX PHARMACEUTICALS (CANADA) INC. (CA) 2018-10-16 US disclosed
US-20170253596-A2 SHIP1 MODULATORS AND METHODS RELATED THERETO TARO PHARMACEUTICALS INC. (CA) 2017-09-07 US disclosed
US-20160083387-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO AQUINOX PHARMACEUTICALS CANADA INC (CA) 2016-03-24 US disclosed
EP-2970100-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO Aquinox Pharmaceuticals (Canada) Inc. (CA) 2016-01-20 EP disclosed
EP-2780326-A1 METHOD FOR INHIBITION OF DEUBIQUITINATING ACTIVITY Vivolux Ab (SE) 2014-09-24 EP disclosed
WO-2014143561-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO AQUINOX PHARMACEUTICALS INC. (CA) 2014-09-18 WO disclosed
WO-2013058691-A1 METHOD FOR INHIBITION OF DEUBIQUITINATING ACTIVITY VIVOLUX AB (SE) 2013-04-25 WO disclosed
CN-1751039-A Pyridine derivatives as fungicidal compounds BAYER CROPSCIENCE SA (FR) 2006-03-22 CN disclosed
EP-0948496-A2 SUBSTITUTED PYRIMIDINONE AND PYRIDONE COMPOUNDS AND METHODS OF USE Amgen inc. (US) 1999-10-13 EP disclosed
WO-1998024780-A2 SUBSTITUTED PYRIMIDINONE AND PYRIDINONE COMPOUNDS AND THEIR USE AMGEN INC. (US) 1998-06-11 WO disclosed
US-5134150-A Administering diaryl-substituted imidazothiazoles; antiarthritic agents SMITHKLINE BEECHAM CORPORATION (US) 1992-07-28 US disclosed
US-5120848-A Anticholesterol and antilipemic agents; hydroxy-3-methylglutaryl/3-/ coenzyme A reductase inhibitors GLAXO GROUP LIMITED (GB) 1992-06-09 US disclosed
US-5013749-A Imidazole derivatives and their use as hypercholesterolemia and hyperlipoproteinemia agents GLAXO GROUP LIMITED (GB) 1991-05-07 US disclosed
US-4808607-A ATHEROSCLEROSIS, HYPERLIPOPROTEINEMIA SANDOZ PHARM. CORP. (US) 1989-02-28 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-20190023709-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO PPM1D, PPP1R1B, PPM1A MAOB 2459/4885NPC1 1207/4885RAB9A 806/4885
US-20160083387-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO PPM1D, PPP1R1B, PPM1A MAOB 2459/4885NPC1 1207/4885RAB9A 806/4885
US-20170253596-A2 SHIP1 MODULATORS AND METHODS RELATED THERETO PPM1D, PPP1R1B, PPM1A MAOB 2459/4885NPC1 1207/4885RAB9A 806/4885
US-10100056-B2 SHIP1 modulators and methods related thereto PPM1D, PPP1R1B, PPM1A MAOB 2459/4885NPC1 1207/4885RAB9A 806/4885

“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.