SCHEMBL30919367

SCHEMBL30919367

COc1cc(CNCc2ccccc2[N+](=O)[O-])cc(OC)c1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.58
KMT2A Q03164 5/20 0.58
KDM4E B2RXH2 5/20 0.53
ALDH1A1 P00352 4/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
MAPK1 P28482 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
HTT P42858 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
PTPN1 P18031 2/20 0.51
TSHR P16473 1/20 0.49
CYP19A1 P11511 1/20 0.48
HPGD P15428 1/20 0.46

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
SCHEMBL15709294 1.00 MEN1 (0.58) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL15730819 0.92 MEN1 (0.50) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL20869707 0.82 ALDH1A1 (0.50) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL3215060 0.80 ALDH1A1 (0.61) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL1042441 0.79 ALDH1A1 (0.58) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL3197983 0.77 ALDH1A1 (0.57) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL28958487 0.76 MAPT (0.48) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL20873634 0.75 KMT2A (0.55) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL28880810 0.75 HPGD (0.61) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL6260274 0.75 ALDH1A1 (0.55) MEN1KMT2AKDM4EALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11975032-B2 Medicament for liver regeneration and for treatment of liver failure MEDIZINISCHE HOCHSCHULE HANNOVER (DE) 2024-05-07 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-11975032-B2 Medicament for liver regeneration and for treatment of liver failure PYGL, HNF4A, ATF1 MEN1 3939/4885KMT2A 2105/4885KDM4E 850/4885

“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.