SCHEMBL4773112

SCHEMBL4773112

CCCC[Sn](CCCC)(CCCC)c1ccc(S(=O)(=O)NCCOCc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.52
TSHR P16473 1/20 0.52
MAPK1 P28482 2/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
GAA P10253 2/20 0.41
TP53 P04637 1/20 0.41
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TAAR1 Q96RJ0 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL4773643 0.84 LMNA (0.39) ALDH1A1TSHRMAPK1HPGDHTT
SCHEMBL4766681 0.82 ALDH1A1 (0.60) ALDH1A1TSHRMAPK1POLBHPGD
SCHEMBL4763544 0.80 CA12 (0.57) ALDH1A1TSHRMAPK1MEN1HTT
SCHEMBL1395612 0.79 ALDH1A1 (0.72) ALDH1A1POLBHPGDMEN1HTT
SCHEMBL4766513 0.77 NPC1 (0.53) ALDH1A1HPGDMEN1HTTKMT2A
SCHEMBL6595668 0.76 ALDH1A1 (0.62) ALDH1A1TSHRMAPK1POLBMEN1
SCHEMBL4768844 0.76 ALDH1A1 (0.54) ALDH1A1TSHRMEN1HTTKMT2A
SCHEMBL18221849 0.74 ALDH1A1 (0.60) ALDH1A1TSHRMAPK1HPGDMEN1
SCHEMBL1395602 0.72 ALDH1A1 (0.79) ALDH1A1HPGDMEN1HTTKMT2A
SCHEMBL4774829 0.72 SMN1; SMN2 (0.47) ALDH1A1TSHRMEN1HTTKMT2A

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 ALDH1A1 2989/4885TSHR 1481/4885MAPK1 1599/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 ALDH1A1 1071/4885TSHR 962/4885MAPK1 1787/4885

“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.