SCHEMBL4581593

SCHEMBL4581593

COCCNc1cc([S+]([O-])c2cc(OC)c(OC)c(OC)c2)ccc1C#N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.48
ALDH1A1 P00352 5/20 0.38
SRC P12931 2/20 0.37
GAA P10253 3/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 1/20 0.36
KDM4E B2RXH2 5/20 0.36
ATM Q13315 2/20 0.36
HPGD P15428 2/20 0.36
LMNA P02545 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36
FGFR4 P22455 3/20 0.34
GAK O14976 1/20 0.34
RIPK2 O43353 1/20 0.34
COQ8A Q8NI60 1/20 0.34

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
SCHEMBL4581333 0.78 MAPK10 (0.39) DYRK1AALDH1A1SRCGAAKMT2A
SCHEMBL4581081 0.78 DYRK1A (0.46) DYRK1AALDH1A1SRCGAATP53
SCHEMBL4581085 0.76 DYRK1A (0.46) DYRK1AALDH1A1SRCGAATP53
SCHEMBL4581510 0.75 DYRK1A (0.45) DYRK1AALDH1A1SRCGAATP53
SCHEMBL4579455 0.71 DYRK1A (0.66) DYRK1ASRCFGFR4GAKRIPK2
SCHEMBL12819770 0.70 ALDH1A1 (0.39) DYRK1AALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL18034714 0.70 ALDH1A1 (0.49) DYRK1AALDH1A1GAAMAPTKDM4E
SCHEMBL7522660 0.66 KDM4E (0.53) ALDH1A1GAAMAPTKMT2AMEN1
SCHEMBL29530279 0.66 KDM4E (0.53) ALDH1A1GAAMAPTKMT2AMEN1
SCHEMBL28608878 0.65 DYRK1A (0.67) DYRK1ASRCGAKRIPK2COQ8A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US claimed
US-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US disclosed
US-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US disclosed
US-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US disclosed
WO-2008024963-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES SERENEX, INC. (US) 2008-02-28 WO 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 (1 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-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives RB1, MKI67, CCNB1 DYRK1A 2145/4885ALDH1A1 767/4885SRC 1098/4885

“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.