SCHEMBL3846515

SCHEMBL3846515

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

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.44
ALDH1A1 P00352 6/20 0.44
HTT P42858 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TDP1 Q9NUW8 1/20 0.40
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
LOX P28300 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
VCAM1 P19320 1/20 0.36
POLB P06746 1/20 0.36
PKM P14618 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
ESR1 P03372 1/20 0.36

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
SCHEMBL4770234 0.86 TDP1 (0.41) LMNAHTTSMN1; SMN2TDP1GAA
SCHEMBL4769186 0.85 LMNA (0.56) LMNAALDH1A1HTTSMN1; SMN2GAA
SCHEMBL4765265 0.82 ATM (0.41) LMNAALDH1A1SMN1; SMN2TDP1GAA
SCHEMBL4770531 0.82 PTGS2 (0.43) SMN1; SMN2
SCHEMBL3847841 0.82 TDP1 (0.35) LMNAALDH1A1HTTSMN1; SMN2TDP1
SCHEMBL2572317 0.81 RAB9A (0.47) LMNAALDH1A1HTTSMN1; SMN2TDP1
SCHEMBL4773979 0.79 CA2 (0.56) SMN1; SMN2
SCHEMBL4763911 0.78 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2GAA
SCHEMBL1983658 0.78 TSHR (0.32) LMNAMEN1KMT2A
SCHEMBL20915818 0.78 LMNA (0.42) LMNAALDH1A1HTTSMN1; SMN2TDP1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2048142-A2 Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof Eisai R&D Management Co., Ltd. (JP) 2009-04-15 EP disclosed
EP-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 EP disclosed
EP-1382603-B1 NITROGENOUS FUSED-RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF EISAI R&D MAN CO LTD (JP) 2008-07-23 EP disclosed
US-7074801-B1 Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof EISAI CO., LTD. (JP) 2006-07-11 US 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
EP-1382603-A1 NITROGENOUS FUSED−RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF Eisai Co., Ltd. (JP) 2004-01-21 EP 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 1057/4885ALDH1A1 2989/4885HTT 2446/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 LMNA 1917/4885ALDH1A1 1071/4885HTT 2151/4885

“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.