SCHEMBL2245547

SCHEMBL2245547

c1ccc(NNc2nc3ccccc3s2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 11/20 0.71
▸ RAB9A P51151 11/20 0.71
▸ MAPT P10636 8/20 0.71
▸ SMN1; SMN2 Q16637 8/20 0.71
▸ MEN1 O00255 5/20 0.71
▸ KMT2A Q03164 5/20 0.71
▸ CASP3 P42574 1/20 0.71
▸ SENP8 Q96LD8 1/20 0.71
▸ SENP7 Q9BQF6 1/20 0.71
▸ SENP6 Q9GZR1 1/20 0.71
▸ HPGD P15428 1/20 0.63
▸ GAA P10253 8/20 0.59
▸ NFKB1 P19838 2/20 0.59
▸ NFKB2 Q00653 2/20 0.59
▸ RELA Q04206 2/20 0.59
▸ IDO1 P14902 1/20 0.59
▸ CYP1A2 P05177 2/20 0.57
▸ ALDH1A1 P00352 4/20 0.53
▸ ADORA1 P30542 1/20 0.51
▸ DYRK1A Q13627 1/20 0.51

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
SCHEMBL1821021 0.83 NPC1 (1.00) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL30195363 0.83 NPC1 (1.00) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL30073965 0.78 NPC1 (0.78) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL3112891 0.78 NPC1 (0.78) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL9133379 0.77 GAA (0.74) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL21915400 0.77 NPC1 (0.81) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL20820688 0.77 CSNK1D (0.58) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL5670159 0.76 NPC1 (0.59) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL9491207 0.75 GAA (0.58) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL5442278 0.75 NPC1 (0.68) NPC1RAB9AMAPTSMN1; SMN2MEN1

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 NPC1 2477/4885RAB9A 3748/4885MAPT 3113/4885
US-20140011782-A1 DRUG COMBINATIONS FOR THE TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY PYGM, CPT1B, GYS1 NPC1 2477/4885RAB9A 3748/4885MAPT 3113/4885
US-20140018320-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY NR0B1, NR0B2, NR3C1 NPC1 3637/4885RAB9A 4325/4885MAPT 4858/4885
US-20090075938-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY NR0B1, NR0B2, NR3C1 NPC1 3637/4885RAB9A 4325/4885MAPT 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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