SCHEMBL4834870

SCHEMBL4834870

CCOP(=O)(Cc1ccc(NC(=O)CCc2cnn(-c3ccccc3)c2-c2ccccc2)cc1)OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
NFKB1 P19838 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
LTA4H P09960 1/20 0.42
EPHX2 P34913 1/20 0.42
MAPT P10636 8/20 0.42
TP53 P04637 2/20 0.40
NPY5R Q15761 1/20 0.40
GAA P10253 1/20 0.40
CYP2C8 P10632 1/20 0.39
CYP2C9 P11712 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL4828997 0.87 ENPP2 (0.44) ALDH1A1SMN1; SMN2NPC1HPGDNFKB1
SCHEMBL4831316 0.84 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2NPC1HPGDNFKB1
SCHEMBL4826040 0.82 NPC1 (0.44) SMN1; SMN2NPC1HPGDNFKB1RAB9A
SCHEMBL27613226 0.81 MAPT (0.59) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL4836516 0.80 MCHR1 (0.40) SMN1; SMN2RAB9ALTA4HEPHX2MAPT
SCHEMBL4837050 0.80 MAPT (0.41) LTA4HEPHX2MAPTTP53KMT2A
SCHEMBL6432318 0.80 GAA (0.49) ALDH1A1NPC1RAB9AMAPTTP53
SCHEMBL4826152 0.80 MAPT (0.51) ALDH1A1SMN1; SMN2NPC1HPGDRAB9A
SCHEMBL4836350 0.80 CYP2C9 (0.46) ALDH1A1SMN1; SMN2NPC1NFKB1RAB9A
SCHEMBL4834860 0.79 MAPT (0.44) ALDH1A1SMN1; SMN2NPC1HPGDNFKB1

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 ALDH1A1 2652/4885SMN1; SMN2 75/4885NPC1 1170/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 ALDH1A1 2652/4885SMN1; SMN2 75/4885NPC1 1170/4885

“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.