SCHEMBL3229062

SCHEMBL3229062

CCCCC(=O)Nc1cc2nn(-c3ccc(Cl)cc3)nc2cc1C

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.77
KDM4E B2RXH2 6/20 0.77
NPC1 O15118 6/20 0.77
ALDH1A1 P00352 6/20 0.77
HPGD P15428 4/20 0.77
TP53 P04637 6/20 0.68
MAPT P10636 7/20 0.68
RAB9A P51151 5/20 0.64
MITF O75030 1/20 0.64
PKM P14618 1/20 0.64
TDP1 Q9NUW8 1/20 0.60
HSD17B10 Q99714 3/20 0.59
THRB P10828 1/20 0.54
BACE1 P56817 1/20 0.53
GAA P10253 2/20 0.51
POLB P06746 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
SCHEMBL3229129 0.93 SMN1; SMN2 (0.78) SMN1; SMN2KDM4ENPC1ALDH1A1HPGD
SCHEMBL3220399 0.88 NPC1 (0.81) SMN1; SMN2KDM4ENPC1ALDH1A1HPGD
SCHEMBL3225794 0.86 SMN1; SMN2 (0.72) SMN1; SMN2KDM4ENPC1ALDH1A1HPGD
SCHEMBL27759222 0.82 NPC1 (0.76) SMN1; SMN2KDM4ENPC1ALDH1A1HPGD
SCHEMBL3210146 0.79 NPC1 (0.74) SMN1; SMN2KDM4ENPC1ALDH1A1HPGD
SCHEMBL3229494 0.79 SMN1; SMN2 (0.73) SMN1; SMN2KDM4ENPC1ALDH1A1HPGD
SCHEMBL3224263 0.77 SMN1; SMN2 (0.67) SMN1; SMN2KDM4ENPC1ALDH1A1HPGD
SCHEMBL3226406 0.76 NPC1 (0.63) SMN1; SMN2KDM4ENPC1ALDH1A1HPGD
SCHEMBL24458166 0.76 MAPT (0.60) SMN1; SMN2KDM4ENPC1ALDH1A1HPGD
SCHEMBL24458167 0.76 MAPT (0.60) SMN1; SMN2KDM4ENPC1ALDH1A1HPGD

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 7 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
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 SMN1; SMN2 1/4885KDM4E 3777/4885NPC1 2950/4885
US-20100168072-A1 Drug Combinations for the Treatment of Duchenne Muscular Dystrophy CPT1B, PYGM, MTPN SMN1; SMN2 5/4885KDM4E 3419/4885NPC1 2697/4885

“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.