SCHEMBL4829309

SCHEMBL4829309

O=C(O)/C=C/c1cncn1-c1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
TBXAS1 P24557 3/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
HSD11B1 P28845 1/20 0.39
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDO2 P48775 1/20 0.35
KDM4E B2RXH2 2/20 0.35
BLM P54132 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP3A4 P08684 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
SCHEMBL4829313 1.00 LMNA (0.41) LMNAALDH1A1GAATBXAS1MAPT
SCHEMBL7521545 0.88 RAB9A (0.48) LMNATBXAS1MEN1KMT2ANPC1
SCHEMBL7521527 0.88 RAB9A (0.48) LMNATBXAS1MEN1KMT2ANPC1
SCHEMBL4836447 0.79 ALDH1A1 (0.41) ALDH1A1HSP90AA1HSP90AB1SMN1; SMN2KDM4E
SCHEMBL4834260 0.76 ALDH1A1 (0.41) LMNAALDH1A1GAAMAPTMEN1
SCHEMBL4834245 0.76 ALDH1A1 (0.41) LMNAALDH1A1GAAMAPTMEN1
SCHEMBL14109842 0.74 TDP1 (0.43) LMNAALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL4834668 0.72 MMP1 (0.41) LMNAALDH1A1MAPTMEN1POLB
SCHEMBL4834693 0.72 MMP1 (0.41) LMNAALDH1A1MAPTMEN1POLB
SCHEMBL5591568 0.70 TBXAS1 (0.43) LMNAALDH1A1GAATBXAS1MEN1

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-1539838-A1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS Basell Poliolefine Italia S.P.A. (IT) 2005-06-15 EP disclosed
WO-2004024785-A1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA S.P.A. (IT) 2004-03-25 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 LMNA 2405/4885ALDH1A1 2652/4885GAA 4645/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 LMNA 2405/4885ALDH1A1 2652/4885GAA 4645/4885

“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.