SCHEMBL17580912

SCHEMBL17580912

O=C1NCCC(=Cc2ccccc2)C1=Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.57
CYP1A2 P05177 2/20 0.52
F3 P13726 1/20 0.49
ALDH1A1 P00352 4/20 0.47
HTT P42858 1/20 0.47
MAOB P27338 2/20 0.42
PIM1 P11309 1/20 0.42
PIM3 Q86V86 1/20 0.42
PIM2 Q9P1W9 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
MAPT P10636 3/20 0.41
MIF P14174 2/20 0.41
PARP10 Q53GL7 2/20 0.41
PARP11 Q9NR21 2/20 0.41
PDPK1 O15530 1/20 0.41

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
SCHEMBL11325775 0.89 CYP1A2 (0.59) HPGDCYP1A2F3ALDH1A1HTT
SCHEMBL8883177 0.89 CYP1A2 (0.59) HPGDCYP1A2F3ALDH1A1HTT
SCHEMBL5754478 0.79 CYP1A2 (0.61) HPGDCYP1A2F3ALDH1A1HTT
SCHEMBL5754475 0.79 CYP1A2 (0.61) HPGDCYP1A2F3ALDH1A1HTT
SCHEMBL9427450 0.75 ALDH1A1 (0.62) HPGDCYP1A2F3ALDH1A1HTT
SCHEMBL11503007 0.75 HPGD (0.56) HPGDCYP1A2ALDH1A1PIM1PIM3
SCHEMBL11503006 0.75 HPGD (0.56) HPGDCYP1A2ALDH1A1PIM1PIM3
SCHEMBL6851578 0.74 CYP1A2 (0.64) HPGDCYP1A2F3ALDH1A1HTT
SCHEMBL21539509 0.74 CYP1A2 (0.64) HPGDCYP1A2F3ALDH1A1HTT
Hydrochloric Acid SCHEMBL31432924 0.72 HPGD (0.53) HPGDCYP1A2F3ALDH1A1HTT

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
EP-2994135-B1 NOVEL BIS-BENZYLIDINE PIPERIDINONE PROTEASOME INHIBITOR WITH ANTICANCER ACTIVITY UNIV JOHNS HOPKINS (US) 2021-10-06 EP disclosed
US-20190175572-A1 NOVEL-BIS-BENZYLIDINE PIPERIDONE PROTEASOME INHIBITOR WITH ANTICANCER ACTIVITY THE JOHNS HOPKINS UNIVERSITY (US) 2019-06-13 US disclosed
US-9913834-B2 Bis-benzylidine piperidone proteasome inhibitor with anticancer activity THE JOHNS HOPKINS UNIVERSITY (US) 2018-03-13 US disclosed
US-20160106725-A1 Novel bis-Benzylidine Piperidone Proteasome Inhibitor with Anticancer Activity THE JOHNS HOPKINS UNIVERSITY 2016-04-21 US disclosed
EP-2994135-A1 NOVEL BIS-BENZYLIDINE PIPERIDONE PROTEASOME INHIBITOR WITH ANTICANCER ACTIVITY The Johns Hopkins University (US) 2016-03-16 EP 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 (2 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-20190175572-A1 NOVEL-BIS-BENZYLIDINE PIPERIDONE PROTEASOME INHIBITOR WITH ANTICANCER ACTIVITY ADRM1, PSMC1, PSMD13 HPGD 3888/4885CYP1A2 2621/4885F3 4733/4885
US-20160106725-A1 Novel bis-Benzylidine Piperidone Proteasome Inhibitor with Anticancer Activity ADRM1, PSMC1, PSMB3 HPGD 3857/4885CYP1A2 2454/4885F3 4718/4885

“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.