SCHEMBL3221640

SCHEMBL3221640

COc1ccccc1C(=O)Nc1cc2nn(-c3ccc(Cl)cc3)nc2cc1C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.65
THRB P10828 3/20 0.64
MAPT P10636 7/20 0.59
SMN1; SMN2 Q16637 4/20 0.58
KDM4E B2RXH2 6/20 0.57
ALDH1A1 P00352 5/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
LMNA P02545 1/20 0.57
CYP2C9 P11712 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
NPC1 O15118 5/20 0.55
RAB9A P51151 5/20 0.55
GAA P10253 1/20 0.55
KCNMA1 Q12791 1/20 0.55
HIF1A Q16665 1/20 0.55
BRPF1 P55201 1/20 0.54
HSD17B10 Q99714 3/20 0.54
TSHR P16473 1/20 0.54
HPGD P15428 2/20 0.53

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
SCHEMBL3224263 0.82 SMN1; SMN2 (0.67) TP53THRBMAPTSMN1; SMN2KDM4E
SCHEMBL3228618 0.81 MAPT (0.72) TP53THRBMAPTSMN1; SMN2KDM4E
SCHEMBL27759222 0.78 NPC1 (0.76) TP53THRBMAPTSMN1; SMN2KDM4E
SCHEMBL3226406 0.77 NPC1 (0.63) TP53THRBMAPTSMN1; SMN2KDM4E
SCHEMBL3226787 0.77 MAPT (0.82) TP53THRBMAPTSMN1; SMN2KDM4E
SCHEMBL3226701 0.77 MAPT (0.74) TP53THRBMAPTSMN1; SMN2KDM4E
SCHEMBL3227164 0.76 NPC1 (0.84) TP53THRBMAPTSMN1; SMN2KDM4E
SCHEMBL3210146 0.75 NPC1 (0.74) TP53THRBMAPTSMN1; SMN2KDM4E
SCHEMBL3220399 0.75 NPC1 (0.81) TP53THRBMAPTSMN1; SMN2KDM4E
SCHEMBL24457961 0.75 MAPT (0.62) TP53THRBMAPTSMN1; SMN2KDM4E

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 6 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
CN-101420952-A Treatment of duchenne muscular dystrophy SUMMIT CORP PLC (GB) 2009-04-29 CN 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 TP53 4078/4885THRB 1728/4885MAPT 4772/4885
US-20100168072-A1 Drug Combinations for the Treatment of Duchenne Muscular Dystrophy CPT1B, PYGM, MTPN TP53 4863/4885THRB 679/4885MAPT 2870/4885

“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.