SCHEMBL4829338

SCHEMBL4829338

CCC(CC)(c1ccc(NC(=O)C=Cc2nncn2-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
MAPT P10636 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
POLB P06746 3/20 0.39
ALDH1A1 P00352 2/20 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
SNCA P37840 2/20 0.36
RAB9A P51151 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
NPC1 O15118 2/20 0.35
TP53 P04637 1/20 0.35
LMNA P02545 2/20 0.35
MCHR1 Q99705 1/20 0.35
ATM Q13315 1/20 0.35
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
SCHEMBL4829317 1.00 MAOB (0.44) MAOBMAPTMEN1KMT2APOLB
SCHEMBL4831213 0.88 MAOB (0.47) MAOBMAPTMEN1KMT2APOLB
SCHEMBL4831254 0.88 MAOB (0.47) MAOBMAPTMEN1KMT2APOLB
SCHEMBL27613043 0.87 MAOB (0.47) MAOBMAPTMEN1KMT2APOLB
SCHEMBL4833463 0.85 MAOB (0.44) MAOBMAPTMEN1KMT2APOLB
SCHEMBL4833444 0.85 MAOB (0.44) MAOBMAPTMEN1KMT2APOLB
SCHEMBL4831419 0.82 MMP1 (0.41) MAOBMAPTMEN1KMT2APOLB
SCHEMBL4831431 0.82 MMP1 (0.41) MAOBMAPTMEN1KMT2APOLB
SCHEMBL4836514 0.80 RAB9A (0.41) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL4829325 0.79 BTK (0.40) MAOBMAPTMEN1KMT2APOLB

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 3 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

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 881/4885MAPT 3203/4885MEN1 3516/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 MAOB 881/4885MAPT 3203/4885MEN1 3516/4885

“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.