SCHEMBL4834883

SCHEMBL4834883

CCOP(=O)(Cc1ccc(NC(=O)/C=C/c2cnn(C)c2-c2ccc(OC)cc2)cc1)OCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.46
HDAC2 Q92769 7/20 0.46
MAPT P10636 5/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
LMNA P02545 3/20 0.43
KDM4E B2RXH2 1/20 0.43
MMP1 P03956 2/20 0.41
MMP2 P08253 2/20 0.41
MMP9 P14780 2/20 0.41
EGFR P00533 1/20 0.41
ACHE P22303 2/20 0.40
BCHE P06276 1/20 0.40
TP53 P04637 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
THRB P10828 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
PKM P14618 1/20 0.39
TSHR P16473 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
SCHEMBL4834214 1.00 HDAC1 (0.46) HDAC1HDAC2MAPTMEN1KMT2A
SCHEMBL4829232 0.92 HDAC1 (0.48) HDAC1HDAC2MAPTMEN1KMT2A
SCHEMBL4829342 0.92 HDAC1 (0.48) HDAC1HDAC2MAPTMEN1KMT2A
SCHEMBL4829197 0.91 HDAC1 (0.41) HDAC1HDAC2MAPTMEN1KMT2A
SCHEMBL4829084 0.90 BTK (0.41) LMNAKDM4EMMP1MMP2MMP9
SCHEMBL1060125 0.90 BTK (0.41) LMNAKDM4EMMP1MMP2MMP9
SCHEMBL4834303 0.90 HDAC1 (0.42) HDAC1HDAC2MAPTMEN1KMT2A
SCHEMBL4829178 0.90 HDAC1 (0.42) HDAC1HDAC2MAPTMEN1KMT2A
SCHEMBL4829174 0.90 CCNC (0.43) HDAC1HDAC2MAPTMEN1KMT2A
SCHEMBL4826138 0.89 HDAC1 (0.48) HDAC1HDAC2MAPTMEN1KMT2A

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 5 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
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 HDAC1 662/4885HDAC2 185/4885MAPT 3203/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 HDAC1 662/4885HDAC2 185/4885MAPT 3203/4885

“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.