SCHEMBL4544353

SCHEMBL4544353

CCc1cc(-c2ccc(OC)cc2)on1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.56
RAB9A P51151 11/20 0.56
HPGD P15428 5/20 0.56
MAPT P10636 4/20 0.56
ALDH1A1 P00352 2/20 0.56
RECQL P46063 1/20 0.56
SMN1; SMN2 Q16637 6/20 0.53
TP53 P04637 3/20 0.53
HSD17B10 Q99714 2/20 0.52
KMT2A Q03164 2/20 0.51
MAPK1 P28482 1/20 0.51
STAT1 P42224 1/20 0.51
MEN1 O00255 1/20 0.51
THRB P10828 1/20 0.51
EPHX2 P34913 1/20 0.51
HTT P42858 1/20 0.49
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48

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
SCHEMBL2539999 0.85 NPC1 (0.55) NPC1RAB9AHPGDMAPTALDH1A1
SCHEMBL8196656 0.85 NOTUM (0.64) NPC1RAB9AHPGDMAPTALDH1A1
SCHEMBL1754915 0.85 NPC1 (0.55) NPC1RAB9AHPGDMAPTALDH1A1
SCHEMBL12151294 0.81 TDP1 (0.56) NPC1RAB9AHPGDMAPTALDH1A1
SCHEMBL8418866 0.79 MAPT (0.51) NPC1RAB9AHPGDMAPTALDH1A1
SCHEMBL4898776 0.79 NOTUM (0.47) NPC1RAB9AHPGDMAPTALDH1A1
SCHEMBL14541437 0.79 NOTUM (0.70) NPC1RAB9AHPGDMAPTALDH1A1
SCHEMBL10274629 0.79 NOTUM (0.68) NPC1RAB9AHPGDMAPTALDH1A1
SCHEMBL6325808 0.78 MAPT (0.62) NPC1RAB9AHPGDMAPTALDH1A1
SCHEMBL4544348 0.78 SMPD1 (0.59) NPC1RAB9AMAPTALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125745-B1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLONE DERIVATIVES SANOFI SA (FR) 2017-02-22 EP disclosed
WO-2016034673-A1 TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS CTXT PTY LTD (AU) 2016-03-10 WO disclosed
WO-2016034671-A1 AMINOINDANE-, AMINOTETRAHYDRONAPHTHALENE- AND AMINOBENZOCYCLOBUTANE-DERIVED PRMT5-INHIBITORS CTXT PTY LTD (AU) 2016-03-10 WO disclosed
US-9150563-B2 Nitrogen-containing aromatic heterocyclyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-10-06 US disclosed
US-20140187592-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-07-03 US disclosed
US-8742116-B2 Cycloalkylamine substituted isoquinolone derivatives SANOFI (FR) 2014-06-03 US disclosed
US-8742116-B2 Cycloalkylamine substituted isoquinolone derivatives SANOFI (FR) 2014-06-03 US disclosed
US-8648103-B2 Nitrogen-containing aromatic heterocyclyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-02-11 US disclosed
US-20120108639-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-05-03 US disclosed
US-20100056568-A1 Cycloalkylamine substituted isoquinolone and isoquinolinone derivatives SANOFI-AVENTIS (FR) 2010-03-04 US disclosed
US-20100056518-A1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLONE DERIVATIVES SANOFI-AVENTIS (FR) 2010-03-04 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-20100056568-A1 Cycloalkylamine substituted isoquinolone and isoquinolinone derivatives MYLK2, MYLK, MYLK3 NPC1 2446/4885RAB9A 1259/4885HPGD 962/4885
US-20100056518-A1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLONE DERIVATIVES MYLK, MYLK2, MYLK3 NPC1 1723/4885RAB9A 965/4885HPGD 797/4885
US-20140187592-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLYL COMPOUND NPR1, NPR3, NPC1 NPC1 3/4885RAB9A 1146/4885HPGD 1638/4885
US-20120108639-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLYL COMPOUND NPR1, NPR3, NPPA NPC1 8/4885RAB9A 1456/4885HPGD 736/4885

“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.