SCHEMBL4581828

SCHEMBL4581828

CCN(c1ccc(C(N)=O)c(NCCOC)c1)c1cc(OC)c(OC)c(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.38
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPK10 P53779 2/20 0.37
KDM4E B2RXH2 2/20 0.37
HTT P42858 1/20 0.37
PTGER4 P35408 2/20 0.37
MAPK9 P45984 1/20 0.36
MAPK1 P28482 2/20 0.36
HIF1A Q16665 1/20 0.36
MAPT P10636 1/20 0.36
GFER P55789 1/20 0.36
MCL1 Q07820 1/20 0.36
HSP90AA1 P07900 3/20 0.36
HSP90AB1 P08238 2/20 0.36
TRAP1 Q12931 1/20 0.36
TP53 P04637 1/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL4581213 0.78 MAPK1 (0.41) LMNAALDH1A1MEN1KMT2AMAPK10
SCHEMBL4581579 0.77 ALDH1A1 (0.42) LMNAALDH1A1MEN1KMT2AMAPK10
SCHEMBL4581333 0.76 MAPK10 (0.39) LMNAALDH1A1MEN1KMT2AMAPK10
SCHEMBL12819603 0.71 PTGER4 (0.47) LMNAALDH1A1PTGER4MAPTHSP90AA1
SCHEMBL4580932 0.70 MAPK9 (0.53) MAPK10MAPK9MAPK1
SCHEMBL2429456 0.70 PTGER4 (0.67) LMNAALDH1A1MEN1KMT2AKDM4E
SCHEMBL4580684 0.69 CYP3A4 (0.42) LMNAALDH1A1MEN1KMT2AMAPK10
SCHEMBL4539617 0.67 KDM4E (0.54) ALDH1A1MEN1KMT2AMAPK10KDM4E
SCHEMBL5591756 0.66 PTGER4 (0.47) LMNAALDH1A1KDM4EPTGER4MAPT
SCHEMBL7841902 0.64 KDM4E (0.54) LMNAALDH1A1KMT2AKDM4EHTT

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 4 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

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 LMNA 3563/4885ALDH1A1 767/4885MEN1 3405/4885

“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.