SCHEMBL3219346

SCHEMBL3219346

CC(C)C(=O)Nc1ccc2cn(-c3ccc(Cl)cc3)nc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.51
NPC1 O15118 6/20 0.51
RAB9A P51151 6/20 0.51
KDM4E B2RXH2 6/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
LMNA P02545 1/20 0.51
CASP3 P42574 3/20 0.50
SENP7 Q9BQF6 3/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
NAMPT P43490 1/20 0.46
PTGES O14684 2/20 0.45
PKM P14618 2/20 0.43
HSD17B10 Q99714 2/20 0.43
GFER P55789 1/20 0.43
RECQL P46063 1/20 0.43
MAPT P10636 4/20 0.41
RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL3641867 0.85 ALDH1A1 (0.54) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL9928341 0.80 MAPT (0.46) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL3226706 0.79 NPC1 (0.79) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL5227347 0.72 ALDH1A1 (0.61) ALDH1A1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL3219976 0.72 KMT2A (0.44) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL13943805 0.71 NAMPT (0.43) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL3232871 0.70 NPC1 (0.72) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL3213503 0.69 PTGS2 (0.50) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL3226759 0.69 NPC1 (0.55) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL28748681 0.69 MEN1 (0.59) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2

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 8 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-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 ALDH1A1 516/4885NPC1 2950/4885RAB9A 1790/4885
US-20100168072-A1 Drug Combinations for the Treatment of Duchenne Muscular Dystrophy CPT1B, PYGM, MTPN ALDH1A1 1092/4885NPC1 2697/4885RAB9A 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.