SCHEMBL4836707

SCHEMBL4836707

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 3/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 5/20 0.38
TP53 P04637 2/20 0.38
LMNA P02545 5/20 0.38
GAA P10253 2/20 0.38
RAB9A P51151 2/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
ALDH1A1 P00352 2/20 0.37
HTT P42858 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
MCHR1 Q99705 2/20 0.36
NPC1 O15118 1/20 0.36
XBP1 P17861 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL4837015 0.89 LMNA (0.39) RXFP1MEN1KMT2AMAPTTP53
SCHEMBL27632133 0.83 RAB9A (0.40) RXFP1MEN1KMT2AMAPTTP53
SCHEMBL4833854 0.83 ENPP2 (0.45) RXFP1MEN1KMT2AMAPTTP53
SCHEMBL4835322 0.83 RXFP1 (0.41) RXFP1MEN1KMT2AMAPTTP53
SCHEMBL4836713 0.80 CYP11B1 (0.48) RXFP1MEN1KMT2AMAPTTP53
SCHEMBL4837021 0.79 CYP11B1 (0.44) RXFP1MEN1KMT2AMAPTTP53
SCHEMBL4834206 0.78 MAOB (0.47) MEN1KMT2AMAPTTP53LMNA
SCHEMBL4834179 0.78 MAOB (0.47) MEN1KMT2AMAPTTP53LMNA
SCHEMBL6429685 0.76 CYP11B1 (0.42) RXFP1MEN1KMT2AMAPTTP53
SCHEMBL6429681 0.75 CYP11B1 (0.41) RXFP1MEN1KMT2AMAPTTP53

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 RXFP1 1603/4885MEN1 3516/4885KMT2A 1653/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 RXFP1 1603/4885MEN1 3516/4885KMT2A 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.