SCHEMBL4773647

SCHEMBL4773647

CC(=O)O[C@H](C)COc1ccc(Br)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 5/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAOB P27338 2/20 0.46
POLB P06746 2/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
TDP1 Q9NUW8 2/20 0.45
LMNA P02545 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAPK1 P28482 2/20 0.42
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41

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
SCHEMBL4773642 1.00 MAPT (0.48) MAPTALDH1A1KDM4ESMN1; SMN2MAOB
SCHEMBL31460425 0.85 MAPT (0.47) MAPTALDH1A1KDM4ESMN1; SMN2MAOB
SCHEMBL26662208 0.85 MAPT (0.47) MAPTALDH1A1KDM4ESMN1; SMN2MAOB
SCHEMBL578331 0.83 MTNR1A (0.58) MAPTPOLBLMNAMTNR1AMTNR1B
SCHEMBL9713332 0.81 MTNR1A (0.53) MAPTSMN1; SMN2POLBLMNAMTNR1A
SCHEMBL9713337 0.81 MTNR1A (0.53) MAPTSMN1; SMN2POLBLMNAMTNR1A
SCHEMBL2019852 0.80 MAOB (0.50) ALDH1A1MAOB
SCHEMBL12875462 0.78 ABCB1 (0.58) MAPTALDH1A1SMN1; SMN2POLBLMNA
SCHEMBL896674 0.78 MTNR1A (0.53) MAPTPOLBLMNAMTNR1AMTNR1B
SCHEMBL896831 0.78 MTNR1A (0.53) MAPTPOLBLMNAMTNR1AMTNR1B

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 1892/4885ALDH1A1 2989/4885KDM4E 1050/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 MAPT 3756/4885ALDH1A1 1071/4885KDM4E 1058/4885

“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.