SCHEMBL880411

SCHEMBL880411

Cc1ccnc(Nc2nc3ccccc3o2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 1.00
NPC1 O15118 10/20 1.00
SMN1; SMN2 Q16637 8/20 1.00
PKM P14618 6/20 1.00
TP53 P04637 2/20 1.00
ALOX15 P16050 2/20 1.00
LMNA P02545 1/20 1.00
MAPT P10636 6/20 0.62
ALDH1A1 P00352 3/20 0.54
GAA P10253 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
HSD17B10 Q99714 1/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
USP2 O75604 1/20 0.47
HSP90AA1 P07900 1/20 0.46
PCSK9 Q8NBP7 1/20 0.43

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
SCHEMBL9911667 0.84 RAB9A (0.72) RAB9ANPC1SMN1; SMN2PKMTP53
SCHEMBL14029255 0.77 RAB9A (0.63) RAB9ANPC1SMN1; SMN2PKMTP53
SCHEMBL15022003 0.77 RAB9A (0.78) RAB9ANPC1SMN1; SMN2PKMTP53
SCHEMBL19899495 0.75 RAB9A (0.60) RAB9ANPC1SMN1; SMN2PKMTP53
SCHEMBL21417048 0.74 RAB9A (0.59) RAB9ANPC1SMN1; SMN2PKMTP53
SCHEMBL3957488 0.72 NPC1 (0.67) RAB9ANPC1SMN1; SMN2PKMTP53
SCHEMBL5851841 0.72 NPC1 (0.75) RAB9ANPC1SMN1; SMN2PKMTP53
SCHEMBL15688417 0.72 RAB9A (0.60) RAB9ANPC1SMN1; SMN2PKMTP53
SCHEMBL27886383 0.72 RAB9A (0.65) RAB9ANPC1SMN1; SMN2PKMTP53
SCHEMBL10639656 0.72 RAB9A (0.65) RAB9ANPC1SMN1; SMN2PKMTP53

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
EP-3251694-A1 DRUG COMBINATIONS FOR THE TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY Summit (Oxford) Limited (GB) 2017-12-06 EP disclosed
US-20140018320-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2014-01-16 US disclosed
US-20140011782-A1 DRUG COMBINATIONS FOR THE TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2014-01-09 US disclosed
US-20130289022-A1 TETRAMERIC ALPHA-SYNUCLEIN AND USE THEREOF BRANDEIS UNIVERSITY (US) 2013-10-31 US disclosed
US-8518980-B2 Treatment of Duchenne muscular dystrophy SUMMIT CORPORATION PLC (GB) 2013-08-27 US disclosed
US-8501713-B2 Drug combinations for the treatment of duchenne muscular dystrophy SUMMIT CORPORATION PLC (GB) 2013-08-06 US disclosed
US-8440705-B2 2,3,4,7,8,9-hexahydro-1H-cyclopenta[h]quinolin-2-one or 2,3,4,6,7,8-hexahydro-1H-cyclopenta[g]quinolin-2-one; Alzheimer's disease WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2013-05-14 US disclosed
US-8440705-B2 2,3,4,7,8,9-hexahydro-1H-cyclopenta[h]quinolin-2-one or 2,3,4,6,7,8-hexahydro-1H-cyclopenta[g]quinolin-2-one; Alzheimer's disease WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2013-05-14 US disclosed
EP-2433634-A2 Compounds, compositions and methods of inhibiting a-synuclein toxicity The Whitehead Institute for Biomedical Research (US) 2012-03-28 EP disclosed
US-20110195932-A1 Drug Combinations for the Treatment of Duchenne Muscular Dystrophy SUMMIT (OXFORD) LIMITED (GB) 2011-08-11 US disclosed
US-20090075938-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT (OXFORD) LIMITED (GB) 2009-03-19 US disclosed
EP-1986633-A2 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY Summit Corporation Plc (GB) 2008-11-05 EP disclosed
US-20080261953-A1 Compounds, Compositions and Methods of Inhibiting Alpha-Synuclein Toxicity WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2008-10-23 US disclosed
US-20080261953-A1 Compounds, Compositions and Methods of Inhibiting Alpha-Synuclein Toxicity WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2008-10-23 US disclosed
WO-2007091106-A2 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2007-08-16 WO 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 (5 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-20080261953-A1 Compounds, Compositions and Methods of Inhibiting Alpha-Synuclein Toxicity SNCA, PARK7, HTT RAB9A 912/4885NPC1 2064/4885SMN1; SMN2 41/4885
US-20110195932-A1 Drug Combinations for the Treatment of Duchenne Muscular Dystrophy PYGM, CPT1B, GYS1 RAB9A 3748/4885NPC1 2477/4885SMN1; SMN2 4/4885
US-20140011782-A1 DRUG COMBINATIONS FOR THE TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY PYGM, CPT1B, GYS1 RAB9A 3748/4885NPC1 2477/4885SMN1; SMN2 4/4885
US-20140018320-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY NR0B1, NR0B2, NR3C1 RAB9A 4325/4885NPC1 3637/4885SMN1; SMN2 9/4885
US-20090075938-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY NR0B1, NR0B2, NR3C1 RAB9A 4325/4885NPC1 3637/4885SMN1; SMN2 9/4885

“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.