SCHEMBL4775470

SCHEMBL4775470

O=S(=O)(c1ccc(Br)cc1)N1CCSCC1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.63
LMNA P02545 3/20 0.61
GLA P06280 1/20 0.58
TSHR P16473 1/20 0.54
HTT P42858 1/20 0.54
ALDH1A1 P00352 3/20 0.53
USP2 O75604 1/20 0.52
GPR183 P32249 1/20 0.49
MMP2 P08253 1/20 0.49

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
SCHEMBL31315858 0.86 ALDH1A1 (0.65) LMNAGLATSHRHTTALDH1A1
SCHEMBL9344505 0.86 ALDH1A1 (0.65) LMNAGLATSHRHTTALDH1A1
SCHEMBL2112295 0.82 USP2 (0.76) LMNAGLATSHRHTTALDH1A1
SCHEMBL2113354 0.82 USP2 (0.69) LMNAGLATSHRHTTALDH1A1
SCHEMBL4009699 0.81 L3MBTL1 (0.63) L3MBTL1LMNAHTTALDH1A1USP2
SCHEMBL3824011 0.81 MAPT (0.69) LMNAGLATSHRHTTALDH1A1
SCHEMBL5306092 0.81 MAPT (0.69) L3MBTL1LMNAHTTALDH1A1
SCHEMBL18410347 0.81 LMNA (0.87) L3MBTL1LMNATSHRHTTALDH1A1
SCHEMBL14501975 0.81 USP2 (0.80) L3MBTL1LMNAHTTALDH1A1USP2
SCHEMBL709027 0.81 USP2 (0.80) L3MBTL1LMNAHTTALDH1A1USP2

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 4124/4885LMNA 1057/4885GLA 4101/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 L3MBTL1 2776/4885LMNA 1917/4885GLA 4335/4885

“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.