SCHEMBL3223391

SCHEMBL3223391

O=[N+]([O-])c1ccc2cn(-c3ccc(Cl)cc3)nc2c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.76
NPC1 O15118 7/20 0.76
KMT2A Q03164 7/20 0.76
MEN1 O00255 6/20 0.76
RAB9A P51151 6/20 0.76
LMNA P02545 6/20 0.76
SMN1; SMN2 Q16637 3/20 0.76
NFKB1 P19838 1/20 0.76
CASP3 P42574 1/20 0.76
NFKB2 Q00653 1/20 0.76
RELA Q04206 1/20 0.76
SENP8 Q96LD8 1/20 0.76
SENP7 Q9BQF6 1/20 0.76
SENP6 Q9GZR1 1/20 0.76
HTT P42858 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 1/20 0.44
NPBWR1 P48145 1/20 0.44
MIF P14174 1/20 0.43
PTGS2 P35354 1/20 0.42

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
SCHEMBL17199295 0.89 MEN1 (0.60) MAPTNPC1KMT2AMEN1RAB9A
SCHEMBL18169192 0.86 RAB9A (1.00) MAPTNPC1KMT2AMEN1RAB9A
SCHEMBL9926874 0.82 RAB9A (0.78) MAPTNPC1KMT2AMEN1RAB9A
SCHEMBL29740999 0.81 MAPT (0.63) MAPTNPC1KMT2AMEN1RAB9A
SCHEMBL9928341 0.76 MAPT (0.46) MAPTNPC1KMT2AMEN1RAB9A
SCHEMBL4013574 0.76 MEN1 (0.48) MAPTNPC1KMT2AMEN1RAB9A
SCHEMBL27647508 0.75 MAPT (0.56) MAPTNPC1KMT2AMEN1RAB9A
SCHEMBL28194693 0.75 MAPT (0.80) MAPTNPC1KMT2AMEN1RAB9A
SCHEMBL3213503 0.75 PTGS2 (0.50) MAPTNPC1KMT2AMEN1RAB9A
SCHEMBL3226759 0.75 NPC1 (0.55) MAPTNPC1KMT2AMEN1RAB9A

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
US-20100168072-A1 Drug Combinations for the Treatment of Duchenne Muscular Dystrophy BIOMARIN IGA LIMITED 2010-07-01 US claimed
US-20100168072-A1 Drug Combinations for the Treatment of Duchenne Muscular Dystrophy BIOMARIN IGA LIMITED 2010-07-01 US disclosed
EP-2170325-A2 DRUG COMBINATIONS FOR THE TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY Summit Corporation Plc (GB) 2010-04-07 EP disclosed
US-20100048660-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA LIMITED (BS) 2010-02-25 US disclosed
CN-101420952-A Treatment of duchenne muscular dystrophy SUMMIT CORP PLC (GB) 2009-04-29 CN disclosed
WO-2009021747-A2 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2009-02-19 WO disclosed
WO-2009019505-A2 DRUG COMBINATIONS FOR THE TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2009-02-12 WO disclosed
EP-1986643-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY Summit Corporation Plc (GB) 2008-11-05 EP disclosed
WO-2007091107-A1 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 (2 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-20100048660-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SMN1; SMN2, CPT1B, GYS1 MAPT 4772/4885NPC1 2950/4885KMT2A 3534/4885
US-20100168072-A1 Drug Combinations for the Treatment of Duchenne Muscular Dystrophy CPT1B, PYGM, MTPN MAPT 2870/4885NPC1 2697/4885KMT2A 3863/4885

“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.