SCHEMBL3431965

SCHEMBL3431965

CC(C)c1ccc(NC(=O)c2nn(CCOc3ccccc3)c3ccccc23)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
ROCK1 Q13464 2/20 0.48
BRD4 O60885 1/20 0.47
MEN1 O00255 1/20 0.47
GFER P55789 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
ELANE P08246 3/20 0.46
NR3C1 P04150 1/20 0.45
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.44
KDM4E B2RXH2 2/20 0.44
PKM P14618 1/20 0.44
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
F10 P00742 1/20 0.43
PTPN7 P35236 1/20 0.43

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
SCHEMBL3430571 0.92 ELANE (0.47) NPC1RAB9AROCK1BRD4MEN1
SCHEMBL3432576 0.88 ELANE (0.54) NPC1RAB9AROCK1MEN1KMT2A
SCHEMBL3431330 0.83 ELANE (0.53) NPC1RAB9AROCK1MEN1KMT2A
SCHEMBL3755136 0.82 RAB9A (0.54) NPC1RAB9AROCK1MEN1GFER
SCHEMBL13051117 0.80 TRPV1 (0.44) ROCK1PKMCNR1CNR2
SCHEMBL3428314 0.79 TSHR (0.55) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL3428243 0.79 PTGER4 (0.52) NPC1RAB9AROCK1SMN1; SMN2ELANE
SCHEMBL13671625 0.78 CNR1 (0.41) ALDH1A1MAPTKDM4EPKMCNR1
SCHEMBL3751996 0.77 RAB9A (0.53) NPC1RAB9AROCK1MEN1GFER
SCHEMBL3427977 0.77 KCNA5 (0.54) NPC1RAB9ASMN1; SMN2ALDH1A1

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-20100305120-A1 COMPOUNDS FOR TREATING MUSCULAR DYSTROPHY BIOMARIN IGA LIMITED 2010-12-02 US claimed
EP-2257340-A2 COMPOUNDS FOR TREATING MUSCULAR DYSTROPHY BioMarin IGA Limited (BS) 2010-12-08 EP disclosed
US-20100305120-A1 COMPOUNDS FOR TREATING MUSCULAR DYSTROPHY BIOMARIN IGA LIMITED 2010-12-02 US disclosed
US-20100305120-A1 COMPOUNDS FOR TREATING MUSCULAR DYSTROPHY BIOMARIN IGA LIMITED 2010-12-02 US disclosed
US-20100305120-A1 COMPOUNDS FOR TREATING MUSCULAR DYSTROPHY BIOMARIN IGA LIMITED 2010-12-02 US disclosed
WO-2009121623-A2 COMPOUNDS FOR TREATING MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2009-10-08 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-20100305120-A1 COMPOUNDS FOR TREATING MUSCULAR DYSTROPHY CPT1B, SMN1; SMN2, GYS1 NPC1 2272/4885RAB9A 2878/4885ROCK1 3435/4885

“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.