SCHEMBL3676457

SCHEMBL3676457

CCS(=O)(=O)c1ccc2cn(-c3ccc(Cl)cc3)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.45
RAB9A P51151 6/20 0.45
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
MAPT P10636 3/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NFKB1 P19838 1/20 0.45
CASP3 P42574 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 3/20 0.41
GAA P10253 2/20 0.41
POLB P06746 1/20 0.41
CA12 O43570 3/20 0.40
CA1 P00915 3/20 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
SCHEMBL3213503 0.86 PTGS2 (0.50) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL3219976 0.83 KMT2A (0.44) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL28004339 0.79 MEN1 (0.43) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL3221606 0.77 NPC1 (0.54) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL3223391 0.73 MAPT (0.76) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL3226759 0.73 NPC1 (0.55) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL28748681 0.73 MEN1 (0.59) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL28748631 0.72 MEN1 (0.59) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL27759239 0.72 NPC1 (0.40) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL5077845 0.69 MEN1 (0.57) NPC1RAB9AKMT2AMEN1MAPT

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-20120149741-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA LIMITED (BS) 2012-06-14 US claimed
EP-2176230-A2 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BioMarin IGA Limited (BS) 2010-04-21 EP claimed
WO-2009021747-A2 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2009-02-19 WO claimed
US-20120149741-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA LIMITED (BS) 2012-06-14 US disclosed
US-20120149741-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA LIMITED (BS) 2012-06-14 US disclosed
EP-2176230-A2 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BioMarin IGA Limited (BS) 2010-04-21 EP disclosed
WO-2009021747-A2 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2009-02-19 WO disclosed
WO-2009021747-A2 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2009-02-19 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 (1 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-20120149741-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SMN1; SMN2, ACVR2B, CPT1B NPC1 1817/4885RAB9A 2122/4885KMT2A 1777/4885

“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.