SCHEMBL4831316

SCHEMBL4831316

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
HPGD P15428 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TP53 P04637 2/20 0.44
MAPT P10636 7/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
KLK6 Q92876 1/20 0.43
CYP2C8 P10632 1/20 0.42
CYP2C9 P11712 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
KLK7 P49862 1/20 0.40
FAAH O00519 1/20 0.40

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
SCHEMBL4826040 0.87 NPC1 (0.44) NPC1RAB9AHPGDNFKB1NFKB2
SCHEMBL27613226 0.87 MAPT (0.59) ALDH1A1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL4834870 0.84 ALDH1A1 (0.43) ALDH1A1NPC1RAB9AHPGDNFKB1
SCHEMBL6432318 0.82 GAA (0.49) ALDH1A1NPC1RAB9ATP53MAPT
SCHEMBL4826152 0.82 MAPT (0.51) ALDH1A1NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL4836350 0.81 CYP2C9 (0.46) ALDH1A1NPC1RAB9ANFKB1NFKB2
SCHEMBL4828997 0.81 ENPP2 (0.44) ALDH1A1NPC1RAB9AHPGDNFKB1
SCHEMBL27612962 0.79 MAPT (0.43) ALDH1A1NPC1RAB9AHPGDNFKB1
SCHEMBL6533070 0.78 HCAR2 (0.51) ALDH1A1NPC1RAB9ATP53MAPT
SCHEMBL4834860 0.77 MAPT (0.44) ALDH1A1NPC1RAB9AHPGDNFKB1

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 6 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
CN-1731994-A Prophylactic and therapeutic agent for neuropathy TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2006-02-08 CN 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 ALDH1A1 2652/4885NPC1 1170/4885RAB9A 4059/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 ALDH1A1 2652/4885NPC1 1170/4885RAB9A 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.