SCHEMBL4765265

SCHEMBL4765265

CCCC[Sn](CCCC)(CCCC)c1ccc(S(=O)(=O)c2ccc([Sn](CCCC)(CCCC)CCCC)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.41
GAA P10253 2/20 0.40
CA2 P00918 4/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TSHR P16473 3/20 0.37
CA1 P00915 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
CA12 O43570 1/20 0.37
PKM P14618 1/20 0.36
CYP3A4 P08684 2/20 0.35
MAPK1 P28482 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MPO P05164 1/20 0.35
CYP2C9 P11712 1/20 0.35
HTR6 P50406 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
CA5A P35218 1/20 0.34
CA5B Q9Y2D0 1/20 0.34

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
SCHEMBL4770531 0.89 PTGS2 (0.43) CA2SMN1; SMN2PTGS2
SCHEMBL4773979 0.85 CA2 (0.56) CA2SMN1; SMN2TSHRCA1CA7
SCHEMBL4763911 0.84 ALDH1A1 (0.43) GAACA2SMN1; SMN2TSHRCA1
SCHEMBL1983658 0.83 TSHR (0.32) TSHRLMNACYP2C9
SCHEMBL4774829 0.82 SMN1; SMN2 (0.47) GAACA2SMN1; SMN2TSHRCA1
SCHEMBL3846515 0.82 LMNA (0.44) GAASMN1; SMN2PKMMAPK1ALDH1A1
SCHEMBL4769186 0.81 LMNA (0.56) GAASMN1; SMN2TSHRALDH1A1LMNA
SCHEMBL4768844 0.81 ALDH1A1 (0.54) CA2SMN1; SMN2TSHRCA1CA9
SCHEMBL4763544 0.80 CA12 (0.57) GAACA2SMN1; SMN2TSHRCA1
SCHEMBL4770234 0.79 TDP1 (0.41) GAACA2SMN1; SMN2CA1CA9

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 ATM 2092/4885GAA 4736/4885CA2 120/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 ATM 1791/4885GAA 4801/4885CA2 117/4885

“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.