SCHEMBL4774829

SCHEMBL4774829

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.47
GAA P10253 1/20 0.47
CA12 O43570 3/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA9 Q16790 3/20 0.46
CA3 P07451 2/20 0.46
CA4 P22748 2/20 0.46
CA6 P23280 2/20 0.46
CA5A P35218 2/20 0.46
CA7 P43166 2/20 0.46
CA13 Q8N1Q1 2/20 0.46
CA14 Q9ULX7 2/20 0.46
CA5B Q9Y2D0 2/20 0.46
LMNA P02545 5/20 0.44
HTT P42858 4/20 0.44
ALDH1A1 P00352 3/20 0.43
NR3C2 P08235 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 2/20 0.37

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
SCHEMBL4768844 0.85 ALDH1A1 (0.54) SMN1; SMN2CA12CA1CA2CA9
SCHEMBL4763544 0.84 CA12 (0.57) SMN1; SMN2GAACA12CA1CA2
SCHEMBL4765265 0.82 ATM (0.41) SMN1; SMN2GAACA12CA1CA2
SCHEMBL4770531 0.82 PTGS2 (0.43) SMN1; SMN2CA2PTGS2
SCHEMBL4771514 0.80 KMT2A (0.50) SMN1; SMN2GAALMNAHTTALDH1A1
SCHEMBL4774034 0.80 CA2 (0.49) SMN1; SMN2CA12CA1CA2CA9
SCHEMBL4773979 0.79 CA2 (0.56) SMN1; SMN2CA12CA1CA2CA9
SCHEMBL4766681 0.78 ALDH1A1 (0.60) SMN1; SMN2GAALMNAHTTALDH1A1
SCHEMBL4763911 0.78 ALDH1A1 (0.43) SMN1; SMN2GAACA12CA1CA2
SCHEMBL1983658 0.78 TSHR (0.32) LMNATSHRCYP2C9MEN1MAPT

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 SMN1; SMN2 27/4885GAA 4736/4885CA12 3253/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 SMN1; SMN2 37/4885GAA 4801/4885CA12 4058/4885

“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.