SCHEMBL2247122

SCHEMBL2247122

CCc1ccc2oc(-c3ccc(N)cc3)nc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 16/20 1.00
▸ NPC1 O15118 14/20 1.00
▸ MAPT P10636 10/20 1.00
▸ ALDH1A1 P00352 9/20 1.00
▸ MEN1 O00255 9/20 1.00
▸ KMT2A Q03164 9/20 1.00
▸ SMN1; SMN2 Q16637 9/20 1.00
▸ TP53 P04637 9/20 1.00
▸ KDM4E B2RXH2 8/20 1.00
▸ HSD17B10 Q99714 6/20 1.00
▸ HPGD P15428 5/20 1.00
▸ NFKB1 P19838 2/20 1.00
▸ NFKB2 Q00653 2/20 1.00
▸ RELA Q04206 2/20 1.00
▸ GFER P55789 2/20 0.69
▸ RXFP1 Q9HBX9 2/20 0.69
▸ GAA P10253 3/20 0.66
▸ ALOX15 P16050 2/20 0.66
▸ TDP1 Q9NUW8 2/20 0.66
▸ HTT P42858 1/20 0.66

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
SCHEMBL2242531 0.91 RAB9A (0.84) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL19380022 0.88 MAPT (0.79) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL14028956 0.88 NPC1 (0.78) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL22103875 0.86 RAB9A (0.76) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL23373979 0.86 NPC1 (0.75) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL11310904 0.85 NPC1 (0.74) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL10289630 0.85 SMN1; SMN2 (0.74) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL2247932 0.85 RAB9A (1.00) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL1024854 0.84 ALDH1A1 (0.72) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL2245758 0.83 RAB9A (0.71) RAB9ANPC1MAPTALDH1A1MEN1

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 9 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-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-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
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 (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-20110195932-A1 Drug Combinations for the Treatment of Duchenne Muscular Dystrophy PYGM, CPT1B, GYS1 RAB9A 3748/4885NPC1 2477/4885MAPT 3113/4885
US-20140011782-A1 DRUG COMBINATIONS FOR THE TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY PYGM, CPT1B, GYS1 RAB9A 3748/4885NPC1 2477/4885MAPT 3113/4885
US-20140018320-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY NR0B1, NR0B2, NR3C1 RAB9A 4325/4885NPC1 3637/4885MAPT 4858/4885
US-20090075938-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY NR0B1, NR0B2, NR3C1 RAB9A 4325/4885NPC1 3637/4885MAPT 4858/4885

“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.

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