SCHEMBL4833451

SCHEMBL4833451

CCOP(=O)(Cc1ccc(NC(=O)/C=C/c2cncn2-c2ccc(F)cc2)cc1)OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.42
LMNA P02545 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TP53 P04637 3/20 0.38
THRB P10828 1/20 0.38
MMP1 P03956 4/20 0.37
MMP2 P08253 4/20 0.37
MMP9 P14780 4/20 0.37
EGFR P00533 1/20 0.37
MAOB P27338 1/20 0.37
NAMPT P43490 3/20 0.37
POLB P06746 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL4834188 0.91 RAB9A (0.41) LMNANPC1RAB9ASMN1; SMN2TP53
SCHEMBL4834693 0.87 MMP1 (0.41) LMNANPC1RAB9ASMN1; SMN2TP53
SCHEMBL4834668 0.87 MMP1 (0.41) LMNANPC1RAB9ASMN1; SMN2TP53
SCHEMBL4829325 0.85 BTK (0.40) BTKLMNANPC1RAB9ASMN1; SMN2
SCHEMBL4837021 0.80 CYP11B1 (0.44) BTKLMNARAB9ATP53THRB
SCHEMBL6431411 0.79 MMP1 (0.41) LMNANPC1RAB9ASMN1; SMN2TP53
SCHEMBL4833463 0.79 MAOB (0.44) LMNANPC1RAB9ASMN1; SMN2TP53
SCHEMBL4833444 0.79 MAOB (0.44) LMNANPC1RAB9ASMN1; SMN2TP53
SCHEMBL6431408 0.79 MMP1 (0.41) LMNANPC1RAB9ASMN1; SMN2TP53
SCHEMBL6431413 0.79 MMP1 (0.41) LMNANPC1RAB9ASMN1; SMN2TP53

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 BTK 3555/4885LMNA 2405/4885NPC1 1170/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 BTK 3555/4885LMNA 2405/4885NPC1 1170/4885

“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.