SCHEMBL3759797

SCHEMBL3759797

CC(C)(C)c1ccc(Cn2nc(C(=O)Nc3ccc(N4CCCCC4)cc3)c3ccccc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.48
MAPT P10636 8/20 0.47
RAB9A P51151 6/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
NPC1 O15118 5/20 0.47
PKM P14618 2/20 0.47
TP53 P04637 2/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
HTT P42858 1/20 0.47
KLF5 Q13887 1/20 0.47
PTGER4 P35408 2/20 0.47
LMNA P02545 2/20 0.46
MAP4K4 O95819 1/20 0.45
NTRK1 P04629 1/20 0.45
FLT3 P36888 1/20 0.45
GCGR P47871 1/20 0.45
MAPK1 P28482 4/20 0.45
USP2 O75604 1/20 0.45

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
SCHEMBL3751881 0.88 MAPT (0.50) TDP1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL3430258 0.86 MAPT (0.52) TDP1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL13672186 0.85 IDH1 (0.51) TDP1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL3430292 0.83 PTGER4 (0.61) MAPTRAB9ASMN1; SMN2NPC1PTGER4
SCHEMBL3428566 0.83 SMN1; SMN2 (0.49) TDP1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL3430587 0.82 KMT2A (0.49) MAPTPTGER4MAPK1GAANPSR1
SCHEMBL3428602 0.81 PTGER4 (0.63) MAPTSMN1; SMN2TP53PTGER4ALDH1A1
SCHEMBL3754165 0.80 ALDH1A1 (0.42) TDP1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL3432147 0.79 USP2 (0.52) MAPTRAB9ANPC1TP53HTT
SCHEMBL13671627 0.77 PTGER4 (0.42) PTGER4ALDH1A1CHRM1

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 4 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
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

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 TDP1 826/4885MAPT 3715/4885RAB9A 2878/4885

“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.