SCHEMBL4773643

SCHEMBL4773643

CCCC[Sn](CCCC)(CCCC)c1ccc(S(=O)(=O)CCCOCc2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
ALDH1A1 P00352 5/20 0.39
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 4/20 0.38
HTT P42858 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
TSHR P16473 2/20 0.37
PSIP1 O75475 1/20 0.36
AR P10275 1/20 0.36
MMP1 P03956 2/20 0.36
MMP3 P08254 1/20 0.36
MMP8 P22894 1/20 0.36
MMP13 P45452 1/20 0.36
CYP3A4 P08684 2/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
CNR2 P34972 1/20 0.34
PLA2G2C Q5R387 1/20 0.34
CTRC Q99895 1/20 0.33

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
SCHEMBL4773112 0.84 ALDH1A1 (0.52) LMNAALDH1A1HPGDHTTTSHR
SCHEMBL4776062 0.81 ALDH1A1 (0.40) LMNAALDH1A1HPGDHTTTSHR
SCHEMBL4763911 0.77 ALDH1A1 (0.43) ALDH1A1TSHRPSIP1MMP1MMP8
SCHEMBL26978769 0.75 LMNA (0.56) LMNAALDH1A1L3MBTL1TDP1AR
SCHEMBL14744152 0.74 LMNA (0.46) LMNAALDH1A1L3MBTL1HTTTDP1
SCHEMBL10759014 0.72 LMNA (0.48) LMNAALDH1A1HPGDL3MBTL1HTT
SCHEMBL4766513 0.72 NPC1 (0.53) LMNAALDH1A1HPGDHTT
SCHEMBL24493943 0.72 ALDH1A1 (0.53) ALDH1A1HPGDTDP1TSHRPSIP1
SCHEMBL31277779 0.71 TSHR (0.50) LMNAALDH1A1L3MBTL1HTTTDP1
SCHEMBL7058830 0.71 LMNA (0.50) LMNAL3MBTL1ARCYP2C19

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
EP-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 EP disclosed
US-6875761-B2 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. (JP) 2005-04-05 US disclosed
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. 2004-10-14 US disclosed
US-6340759-B1 ANTISPASMODIC AGENTS EISAI CO., LTD. (JP) 2002-01-22 US disclosed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 EP 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 (1 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-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 LMNA 1917/4885ALDH1A1 1071/4885HPGD 1548/4885

“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.