Sugi Predict

Sugi Predict / Compounds / SCHEMBL4772937

SCHEMBL4772937

SCHEMBL4772937

CCCC[Sn](CCCC)(CCCC)c1ccc(C(C)CC(=O)OCC)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ ALDH1A1 P00352 6/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ HTT P42858 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ LTB4R Q15722 1/20 0.36
▸ LTB4R2 Q9NPC1 1/20 0.36
▸ F2 P00734 1/20 0.35
▸ F10 P00742 1/20 0.35

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
SCHEMBL4769134 0.78 GAA (0.55) SMN1; SMN2ALDH1A1KDM4ELMNAMAPT
SCHEMBL12883164 0.78 ACHE (0.59) MEN1KMT2ATDP1ALDH1A1KDM4E
SCHEMBL21199753 0.78 ALDH1A1 (0.50) MEN1KMT2ATDP1SMN1; SMN2ALDH1A1
SCHEMBL12883163 0.78 ACHE (0.59) MEN1KMT2ATDP1ALDH1A1KDM4E
SCHEMBL12883167 0.78 ACHE (0.59) MEN1KMT2ATDP1ALDH1A1KDM4E
SCHEMBL13715441 0.76 KMT2A (0.49) MEN1KMT2ATDP1SMN1; SMN2ALDH1A1
SCHEMBL13715515 0.76 KMT2A (0.49) MEN1KMT2ATDP1SMN1; SMN2ALDH1A1
SCHEMBL3665975 0.76 KMT2A (0.49) MEN1KMT2ATDP1SMN1; SMN2ALDH1A1
SCHEMBL21199716 0.75 F2 (0.46) MEN1KMT2ATDP1ALDH1A1KDM4E
SCHEMBL16509661 0.75 ALOX15 (0.55) MEN1KMT2ATDP1ALDH1A1KDM4E

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 MEN1 786/4885KMT2A 1240/4885TDP1 1197/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 MEN1 1171/4885KMT2A 1300/4885TDP1 326/4885

“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.