SCHEMBL4773439

SCHEMBL4773439

CC(=O)O[C@H](C)CSc1ccc(Br)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.45
SDCBP O00560 1/20 0.42
SDC2 P34741 1/20 0.42
MTNR1A P48039 3/20 0.40
MTNR1B P49286 3/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
HSP90AA1 P07900 1/20 0.38
KCNH2 Q12809 1/20 0.38
ALDH1A1 P00352 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALOX12 P18054 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL4773442 1.00 MAOA (0.53) MAOASMN1; SMN2SDCBPSDC2MTNR1A
SCHEMBL18719991 0.78 MAOA (0.61) MAOASMN1; SMN2SDCBPSDC2CA1
SCHEMBL4773279 0.75 MTNR1A (0.33) MAOAMTNR1AMTNR1BCA1CA2
SCHEMBL4773276 0.75 MTNR1A (0.33) MAOAMTNR1AMTNR1BCA1CA2
SCHEMBL12378823 0.73 MAOA (0.66) MAOASMN1; SMN2SDCBPSDC2CA1
SCHEMBL8253948 0.73 MAOA (0.70) MAOASMN1; SMN2SDCBPSDC2CA1
SCHEMBL4773647 0.72 MAPT (0.48) SMN1; SMN2MTNR1AMTNR1BKMT2AMEN1
SCHEMBL4773642 0.72 MAPT (0.48) SMN1; SMN2MTNR1AMTNR1BKMT2AMEN1
SCHEMBL20598026 0.71 CYP1A2 (0.42) SMN1; SMN2ALDH1A1TSHRCHRM2CHRM4
SCHEMBL9808031 0.70 L3MBTL1 (0.42) MTNR1AMTNR1BCA1CA2CA7

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 MAOA 567/4885SMN1; SMN2 27/4885SDCBP 4369/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 MAOA 1268/4885SMN1; SMN2 37/4885SDCBP 4144/4885

“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.