SCHEMBL2250401

SCHEMBL2250401

Cc1ccc(CSc2nc3cc([N+](=O)[O-])ccc3o2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.67
SMN1; SMN2 Q16637 5/20 0.67
NPC1 O15118 5/20 0.67
RAB9A P51151 5/20 0.67
LMNA P02545 3/20 0.67
CASP3 P42574 1/20 0.67
SENP8 Q96LD8 1/20 0.67
SENP7 Q9BQF6 1/20 0.67
SENP6 Q9GZR1 1/20 0.67
PIK3CD O00329 1/20 0.54
ALDH1A1 P00352 5/20 0.52
HTT P42858 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
POLB P06746 2/20 0.52
TSHR P16473 1/20 0.52
NPSR1 Q6W5P4 3/20 0.50
HPGD P15428 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50

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
SCHEMBL2246375 0.88 MAPT (0.67) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL29878225 0.85 MAPT (0.63) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL28874383 0.85 MAPT (0.63) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL2074068 0.82 RAB9A (0.54) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL2491367 0.80 MAPT (1.00) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL2073967 0.78 RAB9A (0.56) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL28957551 0.76 MAPT (0.70) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL15214930 0.76 MAPT (0.61) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL2245219 0.75 MMP2 (0.85) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL15693641 0.74 MAPT (0.75) MAPTSMN1; SMN2NPC1RAB9ALMNA

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110195932-A1 Drug Combinations for the Treatment of Duchenne Muscular Dystrophy SUMMIT (OXFORD) LIMITED (GB) 2011-08-11 US claimed
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 MAPT 3113/4885SMN1; SMN2 4/4885NPC1 2477/4885
US-20140011782-A1 DRUG COMBINATIONS FOR THE TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY PYGM, CPT1B, GYS1 MAPT 3113/4885SMN1; SMN2 4/4885NPC1 2477/4885
US-20140018320-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY NR0B1, NR0B2, NR3C1 MAPT 4858/4885SMN1; SMN2 9/4885NPC1 3637/4885
US-20090075938-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY NR0B1, NR0B2, NR3C1 MAPT 4858/4885SMN1; SMN2 9/4885NPC1 3637/4885

“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.