SCHEMBL4581333

SCHEMBL4581333

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 2/20 0.39
MAPK9 P45984 2/20 0.39
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
PTGER4 P35408 2/20 0.37
LMNA P02545 2/20 0.36
SYK P43405 1/20 0.36
HSP90AA1 P07900 2/20 0.36
HSP90AB1 P08238 1/20 0.36
TRAP1 Q12931 1/20 0.36
CDC7 O00311 1/20 0.36
PLK4 O00444 1/20 0.36
CHEK1 O14757 1/20 0.36
DCLK1 O15075 1/20 0.36
CHUK O15111 1/20 0.36
PDPK1 O15530 1/20 0.36
DAPK3 O43293 1/20 0.36

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 0.80 ALDH1A1 (0.42) MAPK10MAPK9KMT2AKDM4EMEN1
SCHEMBL4581593 0.78 DYRK1A (0.48) KMT2AKDM4EMEN1ALDH1A1LMNA
SCHEMBL4581213 0.77 MAPK1 (0.41) MAPK10MAPK9KMT2AKDM4EMEN1
SCHEMBL4581828 0.76 LMNA (0.38) MAPK10MAPK9KMT2AKDM4EMEN1
SCHEMBL4580932 0.73 MAPK9 (0.53) MAPK10MAPK9SYKCDC7PLK4
SCHEMBL12819603 0.71 PTGER4 (0.47) ALDH1A1PTGER4LMNAHSP90AA1HSP90AB1
SCHEMBL2429456 0.70 PTGER4 (0.67) KMT2AKDM4EMEN1ALDH1A1HTT
SCHEMBL4539617 0.68 KDM4E (0.54) MAPK10KMT2AKDM4EMEN1ALDH1A1
SCHEMBL31208500 0.65 HCAR3 (0.49) SYKPDPK1JAK2FYNRPS6KB1
SCHEMBL7841902 0.65 KDM4E (0.54) KMT2AKDM4EALDH1A1HTTLMNA

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 MAPK10 3262/4885MAPK9 3008/4885KMT2A 2720/4885

“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.