SCHEMBL4775469

SCHEMBL4775469

O=S(=O)(c1ccc(Br)cc1)C1CNCCS1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CA2 P00918 4/20 0.35
PLCG1 P19174 1/20 0.34
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
HTR6 P50406 1/20 0.33
GLA P06280 1/20 0.33
MMP2 P08253 2/20 0.33
CA9 Q16790 2/20 0.33
CA1 P00915 2/20 0.33
CA12 O43570 1/20 0.33
MMP1 P03956 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
MMP13 P45452 1/20 0.33
MAOA P21397 1/20 0.32
GHSR Q92847 2/20 0.32
F2 P00734 1/20 0.30

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
SCHEMBL6769741 0.84 HTR6 (0.37) MAPTHTR6MAOAHTR2C
SCHEMBL29956127 0.81 ENPP2 (0.40) MAOA
SCHEMBL24111158 0.71 CA2 (0.43) CA2PLCG1MAPK1HTTGLA
SCHEMBL10795010 0.70 APLNR (0.47) CA2PLCG1MAPK1HTTHTR6
Hydrochloric Acid SCHEMBL30324523 0.69 CA2 (0.42) CA2PLCG1MAPK1HTTGLA
Hydrochloric Acid SCHEMBL10799346 0.69 APLNR (0.46) CA2PLCG1MAPK1HTTHTR6
SCHEMBL4771959 0.69 GLA (0.35) CA2PLCG1MAPK1HTTGLA
SCHEMBL5657045 0.69 MAOB (0.31) MAOA
SCHEMBL324588 0.68 MAOA (0.63) MAPTSMN1; SMN2TDP1MAOAHTR2C
SCHEMBL5212189 0.68 MAPK1 (0.41) CA2PLCG1MAPK1HTTHTR6

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 MAPT 1892/4885SMN1; SMN2 27/4885TDP1 1197/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 MAPT 3756/4885SMN1; SMN2 37/4885TDP1 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.