SCHEMBL4772916

SCHEMBL4772916

CCCCNC(=O)c1ccc([Sn](CCCC)(CCCC)CCCC)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.55
NAAA Q02083 2/20 0.54
MLYCD O95822 1/20 0.51
ALDH1A1 P00352 2/20 0.50
TSHR P16473 1/20 0.50
HTT P42858 1/20 0.50
CA2 P00918 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
THRA P10827 1/20 0.48
THRB P10828 1/20 0.48
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
DRD3 P35462 1/20 0.47
NAMPT P43490 1/20 0.46
ALOX12 P18054 1/20 0.46

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
SCHEMBL4766743 0.89 L3MBTL1 (0.46) L3MBTL1SMN1; SMN2NAAAMLYCDALDH1A1
SCHEMBL8907409 0.85 KDM4E (0.51) L3MBTL1NAAAMLYCDALDH1A1CA2
SCHEMBL28326194 0.85 L3MBTL1 (0.73) L3MBTL1SMN1; SMN2NAAAMLYCDALDH1A1
SCHEMBL4769427 0.84 PLK1 (0.58) L3MBTL1SMN1; SMN2TSHRHTTCA2
SCHEMBL961840 0.84 MAPT (0.47) L3MBTL1ALDH1A1CA2MAPTMEN1
SCHEMBL8908235 0.84 L3MBTL1 (0.42) L3MBTL1SMN1; SMN2NAAAMLYCDCA2
SCHEMBL8814980 0.84 SMN1; SMN2 (0.54) L3MBTL1SMN1; SMN2NAAAMLYCDALDH1A1
SCHEMBL22773388 0.81 CA1 (0.57) SMN1; SMN2ALDH1A1HTTCA2NPC1
SCHEMBL9601827 0.80 MMP1 (0.44) L3MBTL1SMN1; SMN2NAAAMLYCDALDH1A1
SCHEMBL4766513 0.80 NPC1 (0.53) SMN1; SMN2NAAAALDH1A1HTTNPC1

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 L3MBTL1 4124/4885SMN1; SMN2 27/4885NAAA 1262/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 L3MBTL1 2776/4885SMN1; SMN2 37/4885NAAA 2379/4885

“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.