SCHEMBL4825908

SCHEMBL4825908

O=C(O)/C=C/c1cn(Cc2ccccc2)nc1-c1ccc(F)cc1

nearest known ligand 0.84

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.84
PKM P14618 1/20 0.80
KMT2A Q03164 3/20 0.79
MEN1 O00255 2/20 0.79
SMN1; SMN2 Q16637 5/20 0.77
MAPT P10636 2/20 0.65
ATM Q13315 1/20 0.65
ALDH1A1 P00352 2/20 0.64
KDM4E B2RXH2 1/20 0.64
RAB9A P51151 3/20 0.55
NPC1 O15118 2/20 0.55
LMNA P02545 2/20 0.54
PLK1 P53350 1/20 0.48
DUSP3 P51452 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 1/20 0.43
KCNK3 O14649 1/20 0.42

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
SCHEMBL4825915 1.00 GAA (0.84) GAAPKMKMT2AMEN1SMN1; SMN2
SCHEMBL5383039 0.90 GAA (0.68) GAAPKMKMT2AMEN1SMN1; SMN2
SCHEMBL5383037 0.90 GAA (0.68) GAAPKMKMT2AMEN1SMN1; SMN2
SCHEMBL4825762 0.84 KMT2A (0.77) GAAPKMKMT2AMEN1SMN1; SMN2
SCHEMBL6432454 0.83 GAA (0.58) GAAPKMKMT2AMEN1SMN1; SMN2
SCHEMBL5376726 0.81 GAA (0.79) GAAPKMKMT2AMEN1SMN1; SMN2
SCHEMBL5376722 0.81 GAA (0.79) GAAPKMKMT2AMEN1SMN1; SMN2
SCHEMBL4836466 0.80 GAA (0.54) GAAPKMKMT2AMEN1SMN1; SMN2
SCHEMBL4836456 0.80 GAA (0.54) GAAPKMKMT2AMEN1SMN1; SMN2
SCHEMBL5381942 0.79 SMN1; SMN2 (0.58) GAAPKMKMT2AMEN1SMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287438-A1 Agent for preventing or treating neuropathy MOMOSE YU 2008-11-20 US disclosed
US-7423159-B2 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-09 US disclosed
CN-1731994-A Prophylactic and therapeutic agent for neuropathy TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2006-02-08 CN disclosed
US-20060004069-A1 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-05 US disclosed
EP-1556032-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY Takeda Pharmaceutical Company Limited (JP) 2005-07-27 EP disclosed
WO-2004039365-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-05-13 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-20060004069-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 GAA 4645/4885PKM 4622/4885KMT2A 1653/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 GAA 4645/4885PKM 4622/4885KMT2A 1653/4885

“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.