SCHEMBL4834860

SCHEMBL4834860

CCC(CC)(c1ccc(NC(=O)CCc2cnn(-c3ccccc3)c2-c2ccccc2)cc1)P(=O)(O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.44
CYP2C8 P10632 1/20 0.40
CYP2C9 P11712 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 3/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
TP53 P04637 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37

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
SCHEMBL27612962 0.86 MAPT (0.43) MAPTCYP2C8CYP2C9HCAR2MEN1
SCHEMBL4828997 0.82 ENPP2 (0.44) MAPTCYP2C8CYP2C9HCAR2MEN1
SCHEMBL4836350 0.80 CYP2C9 (0.46) MAPTCYP2C8CYP2C9HCAR2MEN1
SCHEMBL4836511 0.80 RAB9A (0.38) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL4837046 0.80 HTR2A (0.39) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL4834870 0.79 ALDH1A1 (0.43) MAPTCYP2C8CYP2C9HCAR2MEN1
SCHEMBL6432318 0.79 GAA (0.49) MAPTCYP2C8CYP2C9HCAR2MEN1
SCHEMBL4826152 0.79 MAPT (0.51) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL4826040 0.79 NPC1 (0.44) MAPTCYP2C8CYP2C9HCAR2MEN1
SCHEMBL5771724 0.79 MAPT (0.41) MAPTCYP2C9MEN1KMT2AALDH1A1

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 MAPT 3203/4885CYP2C8 1327/4885CYP2C9 1712/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 MAPT 3203/4885CYP2C8 1327/4885CYP2C9 1712/4885

“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.