SCHEMBL2248159

SCHEMBL2248159

O=C(Nc1nc2ccc(F)cc2s1)c1cccs1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 1.00
NPC1 O15118 10/20 1.00
KDM4E B2RXH2 9/20 1.00
SMN1; SMN2 Q16637 8/20 1.00
NFKB1 P19838 4/20 1.00
NFKB2 Q00653 4/20 1.00
RELA Q04206 4/20 1.00
MEN1 O00255 6/20 0.74
KMT2A Q03164 6/20 0.74
ALDH1A1 P00352 6/20 0.74
CASP3 P42574 4/20 0.74
SENP8 Q96LD8 4/20 0.74
SENP7 Q9BQF6 4/20 0.74
SENP6 Q9GZR1 4/20 0.74
TP53 P04637 4/20 0.74
HSD17B10 Q99714 4/20 0.74
LMNA P02545 3/20 0.68
PKM P14618 2/20 0.68
LRRK2 Q5S007 2/20 0.67
HPGD P15428 3/20 0.64

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
SCHEMBL3405003 0.85 RAB9A (0.74) RAB9ANPC1KDM4ESMN1; SMN2NFKB1
SCHEMBL4918421 0.83 CASP3 (1.00) RAB9ANPC1KDM4ESMN1; SMN2NFKB1
SCHEMBL4914385 0.82 NPC1 (1.00) RAB9ANPC1KDM4ESMN1; SMN2NFKB1
SCHEMBL6229059 0.81 RAB9A (1.00) RAB9ANPC1KDM4ESMN1; SMN2NFKB1
SCHEMBL30370064 0.81 LRRK2 (1.00) RAB9ANPC1KDM4ESMN1; SMN2NFKB1
SCHEMBL4395968 0.79 RAB9A (0.80) RAB9ANPC1KDM4ESMN1; SMN2NFKB1
SCHEMBL4401874 0.78 RAB9A (1.00) RAB9ANPC1KDM4ESMN1; SMN2NFKB1
SCHEMBL3787846 0.78 DYRK1A (0.76) RAB9ANPC1KDM4ESMN1; SMN2NFKB1
SCHEMBL19270401 0.78 RAB9A (0.71) RAB9ANPC1KDM4ESMN1; SMN2NFKB1
SCHEMBL6641942 0.77 DYRK1A (0.74) RAB9ANPC1KDM4ESMN1; SMN2NFKB1

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 2477/4885KDM4E 3311/4885
US-20140011782-A1 DRUG COMBINATIONS FOR THE TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY PYGM, CPT1B, GYS1 RAB9A 3748/4885NPC1 2477/4885KDM4E 3311/4885
US-20140018320-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY NR0B1, NR0B2, NR3C1 RAB9A 4325/4885NPC1 3637/4885KDM4E 2080/4885
US-20090075938-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY NR0B1, NR0B2, NR3C1 RAB9A 4325/4885NPC1 3637/4885KDM4E 2080/4885

“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.