SCHEMBL4769186

SCHEMBL4769186

CCCC[Sn](CCCC)(CCCC)c1ccc(S(=O)(=O)N(CC)CC)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.56
HTT P42858 4/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KDM1A O60341 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
ALDH1A1 P00352 5/20 0.43
MAPT P10636 2/20 0.43
TSHR P16473 1/20 0.42
VCAM1 P19320 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL3846515 0.85 LMNA (0.44) LMNAHTTSMN1; SMN2MEN1KMT2A
SCHEMBL4770234 0.81 TDP1 (0.41) LMNAHTTSMN1; SMN2RAB9AMAPT
SCHEMBL4765265 0.81 ATM (0.41) LMNASMN1; SMN2L3MBTL1ALDH1A1TSHR
SCHEMBL4770531 0.81 PTGS2 (0.43) SMN1; SMN2
SCHEMBL4773979 0.78 CA2 (0.56) SMN1; SMN2TSHR
SCHEMBL3847841 0.78 TDP1 (0.35) LMNAHTTSMN1; SMN2NPC1RAB9A
SCHEMBL4763911 0.77 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1TSHRGAA
SCHEMBL1983658 0.76 TSHR (0.32) LMNAMEN1KMT2AMAPTTSHR
SCHEMBL4774829 0.75 SMN1; SMN2 (0.47) LMNAHTTSMN1; SMN2MEN1KMT2A
SCHEMBL23057256 0.75 LMNA (0.73) LMNAHTTSMN1; SMN2NPC1RAB9A

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 7 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-6790844-B2 MUSCLE RELAXANTS; ANTISEROTONINE AGENT EISAI CO., LTD (JP) 2004-09-14 US disclosed
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 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 (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-20020013460-A1 Condensed pyridine compound MUSK, HTR1A, PAX3 LMNA 1057/4885HTT 2446/4885SMN1; SMN2 27/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 LMNA 1917/4885HTT 2151/4885SMN1; SMN2 37/4885

“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.