SCHEMBL4763424

SCHEMBL4763424

CC(=O)OCCOc1ccc(Br)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.58
LMNA P02545 3/20 0.58
ALDH1A1 P00352 3/20 0.58
TDP1 Q9NUW8 1/20 0.58
TSHR P16473 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
NPSR1 Q6W5P4 1/20 0.54
HPGD P15428 3/20 0.53
POLB P06746 3/20 0.53
SMN1; SMN2 Q16637 4/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
S1PR4 O95977 1/20 0.51
RECQL P46063 1/20 0.50
MAPT P10636 1/20 0.50
HTT P42858 1/20 0.50
TP53 P04637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL29135033 0.84 MAPT (0.60) ALDH1A1TDP1TSHRHPGDSMN1; SMN2
SCHEMBL17572345 0.82 KDM4E (0.61) KDM4ELMNAALDH1A1TDP1TSHR
SCHEMBL15868883 0.80 KMT2A (0.67) KDM4ELMNAALDH1A1TDP1TSHR
SCHEMBL944568 0.79 FDPS (0.51) LMNAALDH1A1TDP1MEN1KMT2A
SCHEMBL27684806 0.79 PTGDR2 (0.50) KDM4ELMNAALDH1A1TDP1MEN1
SCHEMBL8420493 0.79 KDM4E (0.60) KDM4ELMNAALDH1A1TDP1TSHR
SCHEMBL31437826 0.79 KDM4E (0.60) KDM4ELMNAALDH1A1TDP1TSHR
SCHEMBL3500799 0.79 PTGDR2 (0.49) KDM4ELMNAALDH1A1TSHRPOLB
SCHEMBL25747855 0.78 KDM4E (0.47) KDM4ELMNAALDH1A1TDP1MEN1
SCHEMBL10746769 0.78 KDM4E (0.60) KDM4ELMNAALDH1A1TDP1TSHR

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 KDM4E 1050/4885LMNA 1057/4885ALDH1A1 2989/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 KDM4E 1058/4885LMNA 1917/4885ALDH1A1 1071/4885

“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.