SCHEMBL4774223

SCHEMBL4774223

CCCC(O)c1ccc(-c2cc3sccc3c(N3CCN(CC)CC3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
POLB P06746 2/20 0.37
GBA1 P04062 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
PAX8 Q06710 1/20 0.37
CYP2D6 P10635 2/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
HTR1A P08908 4/20 0.35
DRD2 P14416 3/20 0.35
HTR2A P28223 3/20 0.35
HRH4 Q9H3N8 1/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
SYK P43405 1/20 0.34
KMT2A Q03164 3/20 0.33

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
Oxalic Acid SCHEMBL4763326 0.95 CSNK2A2 (0.41) CSNK2A2CSNK2BCSNK2A1SMN1; SMN2POLB
SCHEMBL4764258 0.92 CSNK2A2 (0.39) CSNK2A2CSNK2BCSNK2A1SMN1; SMN2POLB
SCHEMBL4769943 0.89 CSNK2A2 (0.40) CSNK2A2CSNK2BCSNK2A1SMN1; SMN2POLB
Oxalic Acid SCHEMBL4770325 0.88 CSNK2A2 (0.43) CSNK2A2CSNK2BCSNK2A1SMN1; SMN2POLB
SCHEMBL4769977 0.85 RXFP1 (0.35) SMN1; SMN2POLBGBA1HPGDHTT
Oxalic Acid SCHEMBL4768421 0.85 CSNK2A2 (0.43) CSNK2A2CSNK2BCSNK2A1SMN1; SMN2POLB
SCHEMBL4763741 0.84 CSNK2A2 (0.43) CSNK2A2CSNK2BCSNK2A1SMN1; SMN2POLB
Hydrochloric Acid SCHEMBL4770364 0.84 RXFP1 (0.35) SMN1; SMN2POLBGBA1HPGDHTT
SCHEMBL4763950 0.83 CSNK2A2 (0.38) CSNK2A2CSNK2BCSNK2A1SMN1; SMN2POLB
Hydrochloric Acid SCHEMBL4772350 0.83 CSNK2A2 (0.42) CSNK2A2CSNK2BCSNK2A1SMN1; SMN2POLB

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6340759-B1 ANTISPASMODIC AGENTS EISAI CO., LTD. (JP) 2002-01-22 US claimed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 EP claimed
EP-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 EP disclosed
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 CSNK2A2 887/4885CSNK2B 862/4885CSNK2A1 661/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 CSNK2A2 2189/4885CSNK2B 1865/4885CSNK2A1 1779/4885

“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.