SCHEMBL4826516

SCHEMBL4826516

CCOP(=O)(Cc1ccc(NC(=O)C=Cc2cnn(C)c2C)cc1)OCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.49
HPGD P15428 10/20 0.49
ALDH1A1 P00352 9/20 0.49
GAA P10253 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 5/20 0.44
KMT2A Q03164 3/20 0.44
RAB9A P51151 9/20 0.42
NPC1 O15118 8/20 0.42
SMN1; SMN2 Q16637 7/20 0.42
MAPT P10636 6/20 0.42
TP53 P04637 2/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42

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
SCHEMBL4826509 1.00 KDM4E (0.49) KDM4EHPGDALDH1A1GAACYP1A2
SCHEMBL4829197 0.88 HDAC1 (0.41) KDM4EHPGDALDH1A1LMNAKMT2A
SCHEMBL4829174 0.87 CCNC (0.43) KMT2ARAB9AMAPTBTKMEN1
SCHEMBL4834214 0.86 HDAC1 (0.46) KDM4EALDH1A1CYP3A4CYP2C19NPSR1
SCHEMBL4834883 0.86 HDAC1 (0.46) KDM4EALDH1A1CYP3A4CYP2C19NPSR1
SCHEMBL4829084 0.85 BTK (0.41) KDM4EHPGDALDH1A1LMNARAB9A
SCHEMBL4834303 0.85 HDAC1 (0.42) KDM4EHPGDALDH1A1CYP3A4CYP2C19
SCHEMBL1060125 0.85 BTK (0.41) KDM4EHPGDALDH1A1LMNARAB9A
SCHEMBL4829178 0.85 HDAC1 (0.42) L3MBTL1LMNAKMT2ARAB9ANPC1
SCHEMBL4833931 0.84 CCNC (0.39) KDM4EHPGDALDH1A1BTK

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 KDM4E 4406/4885HPGD 1252/4885ALDH1A1 2652/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 KDM4E 4406/4885HPGD 1252/4885ALDH1A1 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.