SCHEMBL4763544

SCHEMBL4763544

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA9 Q16790 1/20 0.57
LMNA P02545 6/20 0.47
HTT P42858 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 8/20 0.46
TSHR P16473 2/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
PKM P14618 2/20 0.44
GAA P10253 3/20 0.43
MAPT P10636 2/20 0.43
ALOX12 P18054 1/20 0.43
MAPK1 P28482 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42

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 0.89 ALDH1A1 (0.54) CA12CA1CA2CA9LMNA
SCHEMBL4766681 0.87 ALDH1A1 (0.60) LMNAHTTSMN1; SMN2ALDH1A1TSHR
SCHEMBL4774829 0.84 SMN1; SMN2 (0.47) CA12CA1CA2CA9LMNA
SCHEMBL4773112 0.80 ALDH1A1 (0.52) LMNAHTTSMN1; SMN2ALDH1A1TSHR
SCHEMBL4765265 0.80 ATM (0.41) CA12CA1CA2CA9LMNA
SCHEMBL4770531 0.80 PTGS2 (0.43) CA2SMN1; SMN2
SCHEMBL4763911 0.79 ALDH1A1 (0.43) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL10272435 0.78 CA12 (0.70) CA12CA1CA2CA9LMNA
SCHEMBL4771514 0.78 KMT2A (0.50) LMNAHTTSMN1; SMN2ALDH1A1TSHR
SCHEMBL4774034 0.78 CA2 (0.49) CA12CA1CA2CA9LMNA

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 CA12 3253/4885CA1 517/4885CA2 120/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 CA12 4058/4885CA1 665/4885CA2 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.