SCHEMBL4826152

SCHEMBL4826152

COC(=O)c1ccc(NC(=O)CCc2cnn(-c3ccccc3)c2-c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.51
TP53 P04637 2/20 0.50
ALDH1A1 P00352 6/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
RAB9A P51151 4/20 0.49
LMNA P02545 3/20 0.49
KDM4E B2RXH2 1/20 0.49
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
NPC1 O15118 1/20 0.47
MAPK1 P28482 1/20 0.47
RGS12 O14924 1/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL27613226 0.91 MAPT (0.59) MAPTTP53ALDH1A1MEN1KMT2A
SCHEMBL4836350 0.89 CYP2C9 (0.46) MAPTTP53ALDH1A1MEN1KMT2A
SCHEMBL6432318 0.86 GAA (0.49) MAPTTP53ALDH1A1MEN1KMT2A
SCHEMBL4826040 0.83 NPC1 (0.44) MAPTMEN1KMT2ARAB9AHTT
SCHEMBL6533070 0.82 HCAR2 (0.51) MAPTTP53ALDH1A1MEN1KMT2A
SCHEMBL4831316 0.82 ALDH1A1 (0.49) MAPTTP53ALDH1A1MEN1KMT2A
SCHEMBL27612962 0.81 MAPT (0.43) MAPTTP53ALDH1A1MEN1KMT2A
SCHEMBL4828997 0.81 ENPP2 (0.44) MAPTTP53ALDH1A1MEN1KMT2A
SCHEMBL4834870 0.80 ALDH1A1 (0.43) MAPTTP53ALDH1A1MEN1KMT2A
SCHEMBL4834860 0.79 MAPT (0.44) MAPTTP53ALDH1A1MEN1KMT2A

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 MAPT 3203/4885TP53 4623/4885ALDH1A1 2652/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 MAPT 3203/4885TP53 4623/4885ALDH1A1 2652/4885

“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.