SCHEMBL3221606

SCHEMBL3221606

CCS(=O)(=O)c1ccc2nn(-c3ccc(Cl)cc3)nc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.54
MAPT P10636 7/20 0.54
RAB9A P51151 5/20 0.54
ATM Q13315 4/20 0.54
KDM4E B2RXH2 4/20 0.54
MEN1 O00255 8/20 0.48
KMT2A Q03164 8/20 0.48
RXFP1 Q9HBX9 2/20 0.47
TP53 P04637 2/20 0.46
PKM P14618 1/20 0.41
ALDH1A1 P00352 3/20 0.41
POLB P06746 2/20 0.41
GAA P10253 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RORC P51449 1/20 0.40

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
SCHEMBL3231511 0.86 NPC1 (0.46) NPC1MAPTRAB9AATMKDM4E
SCHEMBL3223168 0.85 MAPT (0.56) NPC1MAPTRAB9AATMKDM4E
SCHEMBL24457935 0.80 NPC1 (0.61) NPC1MAPTRAB9AATMKDM4E
SCHEMBL3676457 0.77 NPC1 (0.45) NPC1MAPTRAB9AKDM4EMEN1
SCHEMBL24458194 0.75 MAPT (0.55) NPC1MAPTRAB9AATMKDM4E
SCHEMBL24458029 0.74 NPC1 (0.54) NPC1MAPTRAB9AATMKDM4E
SCHEMBL28756192 0.73 NPC1 (0.65) NPC1MAPTRAB9AATMKDM4E
SCHEMBL26604637 0.73 MEN1 (0.39) NPC1MAPTRAB9AKDM4EMEN1
SCHEMBL24458154 0.73 NPC1 (0.59) NPC1MAPTRAB9AATMKDM4E
SCHEMBL24458202 0.72 RXFP1 (0.57) NPC1MAPTRAB9AATMKDM4E

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 5 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
US-20100048660-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA LIMITED (BS) 2010-02-25 US 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 NPC1 2950/4885MAPT 4772/4885RAB9A 1790/4885
US-20100168072-A1 Drug Combinations for the Treatment of Duchenne Muscular Dystrophy CPT1B, PYGM, MTPN NPC1 2697/4885MAPT 2870/4885RAB9A 3980/4885

“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.