SCHEMBL2245502

SCHEMBL2245502

O=C(Nc1nc2ccccc2s1)c1cc(Br)ccc1Cl

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.67
CASP3 P42574 3/20 0.58
SENP8 Q96LD8 3/20 0.58
SENP7 Q9BQF6 3/20 0.58
SENP6 Q9GZR1 3/20 0.58
NPC1 O15118 8/20 0.57
RAB9A P51151 8/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
KDM4E B2RXH2 2/20 0.57
CNR1 P21554 1/20 0.57
ALDH1A1 P00352 1/20 0.56
DYRK1A Q13627 3/20 0.56
ADORA1 P30542 2/20 0.56
TMIGD3 P0DMS9 1/20 0.55
STAT1 P42224 1/20 0.55
PKM P14618 1/20 0.55
PAX8 Q06710 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55

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
SCHEMBL26606545 0.90 DHODH (0.78) DHODHCASP3SENP8SENP7SENP6
SCHEMBL30576813 0.90 DHODH (0.78) DHODHCASP3SENP8SENP7SENP6
SCHEMBL17433366 0.86 TOP1 (0.64) DHODHCASP3SENP8SENP7SENP6
SCHEMBL4912955 0.84 DHODH (0.76) DHODHCASP3SENP8SENP7SENP6
SCHEMBL26606436 0.83 DHODH (0.60) DHODHCASP3SENP8SENP7SENP6
SCHEMBL26606472 0.83 DHODH (0.60) DHODHCASP3SENP8SENP7SENP6
SCHEMBL30576765 0.83 DHODH (0.60) DHODHCASP3SENP8SENP7SENP6
SCHEMBL30576822 0.83 DHODH (0.60) DHODHCASP3SENP8SENP7SENP6
SCHEMBL12963273 0.83 ALDH1A1 (0.66) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL5731624 0.81 MAPT (0.69) DHODHNPC1RAB9AMEN1KMT2A

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 DHODH 2466/4885CASP3 4141/4885SENP8 2116/4885
US-20140011782-A1 DRUG COMBINATIONS FOR THE TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY PYGM, CPT1B, GYS1 DHODH 2466/4885CASP3 4141/4885SENP8 2116/4885
US-20140018320-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY NR0B1, NR0B2, NR3C1 DHODH 4187/4885CASP3 2481/4885SENP8 4037/4885
US-20090075938-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY NR0B1, NR0B2, NR3C1 DHODH 4187/4885CASP3 2481/4885SENP8 4037/4885

“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.