SCHEMBL4833463

SCHEMBL4833463

CCC(CC)(c1ccc(NC(=O)C=Cc2cncn2-c2ccc(F)cc2)cc1)P(=O)(O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.44
POLB P06746 3/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MMP1 P03956 4/20 0.38
MMP2 P08253 4/20 0.38
MMP9 P14780 4/20 0.38
EGFR P00533 1/20 0.38
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NAMPT P43490 4/20 0.37
SNCA P37840 2/20 0.36
TP53 P04637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 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
SCHEMBL4833444 1.00 MAOB (0.44) MAOBPOLBMAPTALDH1A1MEN1
SCHEMBL4834179 0.88 MAOB (0.47) MAOBPOLBMAPTALDH1A1MEN1
SCHEMBL4834206 0.88 MAOB (0.47) MAOBPOLBMAPTALDH1A1MEN1
SCHEMBL27632195 0.87 MAOB (0.47) MAOBPOLBMAPTALDH1A1MEN1
SCHEMBL4829317 0.85 MAOB (0.44) MAOBPOLBMAPTALDH1A1MEN1
SCHEMBL4829338 0.85 MAOB (0.44) MAOBPOLBMAPTALDH1A1MEN1
SCHEMBL4834668 0.82 MMP1 (0.41) MAOBPOLBMAPTALDH1A1MEN1
SCHEMBL4834693 0.82 MMP1 (0.41) MAOBPOLBMAPTALDH1A1MEN1
SCHEMBL4837015 0.80 LMNA (0.39) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL4833451 0.79 BTK (0.42) MAOBPOLBMAPTALDH1A1MEN1

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 MAOB 881/4885POLB 3700/4885MAPT 3203/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 MAOB 881/4885POLB 3700/4885MAPT 3203/4885

“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.