SCHEMBL4772591

SCHEMBL4772591

Brc1ccccc1OCCOCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.53
KDM4E B2RXH2 5/20 0.51
MAPT P10636 5/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
MAPK1 P28482 2/20 0.51
CYP3A4 P08684 1/20 0.51
L3MBTL1 Q9Y468 4/20 0.50
KMT2A Q03164 3/20 0.50
MEN1 O00255 1/20 0.50
HTR7 P34969 1/20 0.50
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
TDP1 Q9NUW8 3/20 0.47
GAA P10253 1/20 0.43
NAAA Q02083 1/20 0.42

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
SCHEMBL30914306 1.00 LMNA (0.53) LMNAKDM4EMAPTCYP1A2CYP2C9
SCHEMBL29135267 0.91 LMNA (0.55) LMNAKDM4EMAPTCYP1A2CYP2C9
SCHEMBL29135234 0.91 LMNA (0.55) LMNAKDM4EMAPTCYP1A2CYP2C9
SCHEMBL16610000 0.87 TSHR (0.58) LMNAKDM4EMAPTMAPK1L3MBTL1
SCHEMBL16594423 0.85 TSHR (0.56) LMNAKDM4EMAPTMAPK1L3MBTL1
SCHEMBL21184462 0.85 TSHR (0.56) LMNAKDM4EMAPTMAPK1L3MBTL1
SCHEMBL16594604 0.85 TSHR (0.56) LMNAKDM4EMAPTMAPK1L3MBTL1
SCHEMBL21184527 0.85 TSHR (0.56) LMNAKDM4EMAPTMAPK1L3MBTL1
SCHEMBL21184469 0.85 TSHR (0.56) LMNAKDM4EMAPTMAPK1L3MBTL1
SCHEMBL16594839 0.85 TSHR (0.56) LMNAKDM4EMAPTMAPK1L3MBTL1

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 LMNA 1057/4885KDM4E 1050/4885MAPT 1892/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 LMNA 1917/4885KDM4E 1058/4885MAPT 3756/4885

“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.