SCHEMBL4837015

SCHEMBL4837015

CCC(CC)(c1ccc(NC(=O)CCc2cncn2-c2ccc(F)cc2)cc1)P(=O)(O)O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.39
RXFP1 Q9HBX9 3/20 0.39
RAB9A P51151 2/20 0.39
GAA P10253 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 3/20 0.37
ALOX12 P18054 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TP53 P04637 2/20 0.36
THRB P10828 1/20 0.36
HTT P42858 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
REV1 Q9UBZ9 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL4836707 0.89 RXFP1 (0.40) LMNARXFP1RAB9AGAAMEN1
SCHEMBL27632133 0.86 RAB9A (0.40) LMNARXFP1RAB9AGAAMEN1
SCHEMBL4836514 0.83 RAB9A (0.41) LMNARXFP1RAB9AGAAMEN1
SCHEMBL4833854 0.82 ENPP2 (0.45) LMNARXFP1RAB9AGAAMEN1
SCHEMBL4833444 0.80 MAOB (0.44) LMNARAB9AMEN1KMT2AMAPT
SCHEMBL4833463 0.80 MAOB (0.44) LMNARAB9AMEN1KMT2AMAPT
SCHEMBL4837021 0.79 CYP11B1 (0.44) LMNARXFP1RAB9AGAAMEN1
SCHEMBL4836713 0.79 CYP11B1 (0.48) LMNARXFP1RAB9AGAAMEN1
SCHEMBL6429681 0.76 CYP11B1 (0.41) LMNARXFP1RAB9AGAAMEN1
SCHEMBL4836511 0.75 RAB9A (0.38) LMNARXFP1RAB9AGAAMEN1

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 5 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
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 LMNA 2405/4885RXFP1 1603/4885RAB9A 4059/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 LMNA 2405/4885RXFP1 1603/4885RAB9A 4059/4885

“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.