SCHEMBL22669259

SCHEMBL22669259

O=C(COc1ccc(Cl)cc1)NCCCCNC(=O)COc1ccc(F)c(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
PKM P14618 1/20 0.53
GAA P10253 1/20 0.53
ALOX12 P18054 1/20 0.53
KDM4E B2RXH2 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
ALDH1A1 P00352 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
GRIN1 Q05586 1/20 0.49
GRIN2B Q13224 1/20 0.49
ADAMTS5 Q9UNA0 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL22669059 0.91 MEN1 (0.56) MEN1KMT2APKMGAAALOX12
SCHEMBL22669498 0.87 MEN1 (0.67) MEN1KMT2APKMGAAALOX12
SCHEMBL20999415 0.85 MEN1 (0.46) MEN1KMT2AGAAALOX12KDM4E
SCHEMBL5998019 0.83 MEN1 (0.60) MEN1KMT2APKMGAAALOX12
SCHEMBL22669246 0.82 MEN1 (0.48) MEN1KMT2APKMGAAALOX12
SCHEMBL17164110 0.81 MAPT (0.48) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL1256959 0.80 NPC1 (0.56)
SCHEMBL28650418 0.80 GBA1 (0.56) MEN1KMT2AKDM4EALDH1A1GRIN1
SCHEMBL24116706 0.80 POLB (0.50) MEN1KMT2AGAAALOX12ALDH1A1
SCHEMBL19555345 0.80 ALDH1A1 (0.55) MEN1KMT2AKDM4EALDH1A1GRIN1

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-20200361941-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ABBVIE INC. 2020-11-19 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-20200361941-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 MEN1 4714/4885KMT2A 4320/4885PKM 575/4885

“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.