SCHEMBL4581081

SCHEMBL4581081

COCCNc1cc(S(=O)(=O)c2cc(OC)c(OC)c(OC)c2)ccc1C#N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.46
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 3/20 0.38
GAA P10253 2/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
LMNA P02545 2/20 0.38
ATM Q13315 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38

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
SCHEMBL4581579 0.79 ALDH1A1 (0.42) POLBTSHRMAPK1ALDH1A1GAA
SCHEMBL4581593 0.78 DYRK1A (0.48) DYRK1AALDH1A1GAATP53MAPT
SCHEMBL4581085 0.76 DYRK1A (0.46) DYRK1AMAPK1ALDH1A1GAATP53
SCHEMBL4581510 0.75 DYRK1A (0.45) DYRK1AALDH1A1GAATP53MAPT
SCHEMBL18034714 0.70 ALDH1A1 (0.49) DYRK1AALDH1A1GAAMAPTLMNA
SCHEMBL12819770 0.70 ALDH1A1 (0.39) DYRK1AALDH1A1GAASMN1; SMN2LMNA
SCHEMBL4579455 0.69 DYRK1A (0.66) DYRK1ASRC
SCHEMBL5095441 0.68 POLB (0.59) POLBTSHRMAPK1ALDH1A1GAA
SCHEMBL7522660 0.66 KDM4E (0.53) POLBTSHRALDH1A1GAAMAPT
SCHEMBL29530279 0.66 KDM4E (0.53) POLBTSHRALDH1A1GAAMAPT

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 2145/4885POLB 1634/4885TSHR 1637/4885

“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.