SCHEMBL16449237

SCHEMBL16449237

C=C/C=C\c1c(C)ccc2ncccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ERN1 O75460 1/20 0.43
LMNA P02545 3/20 0.43
HTT P42858 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 3/20 0.43
CYP3A4 P08684 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP1B1 Q16678 1/20 0.38
HSP90AA1 P07900 2/20 0.38
MEN1 O00255 1/20 0.38
HSP90AB1 P08238 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
HIF1A Q16665 1/20 0.38
IL1B P01584 1/20 0.36
PSMD14 O00487 1/20 0.36
COPS5 Q92905 1/20 0.36
SLC6A2 P23975 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
SCHEMBL21699575 0.83 MAPT (0.52) MAPTKDM4EERN1LMNAHTT
SCHEMBL27707625 0.82 MAPT (0.50) MAPTKDM4EERN1LMNAHTT
SCHEMBL20562670 0.77 ERN1 (0.65) MAPTKDM4EERN1LMNAHTT
SCHEMBL19413657 0.75 LMNA (0.51) MAPTKDM4EERN1LMNAHTT
SCHEMBL20564143 0.75 SMN1; SMN2 (0.44) MAPTKDM4EERN1LMNAHTT
SCHEMBL20564141 0.75 SMN1; SMN2 (0.44) MAPTKDM4EERN1LMNAHTT
SCHEMBL25464150 0.73 CYP2A6 (0.47) MAPTKDM4EERN1LMNAHTT
SCHEMBL21841136 0.73 L3MBTL1 (0.56) MAPTKDM4EHTTSMN1; SMN2ALDH1A1
SCHEMBL19041295 0.73
SCHEMBL14511529 0.73 NFE2L2 (0.34) MAPTKDM4EALDH1A1HSP90AA1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10937976-B2 Tetradentate platinum and palladium complex emitters containing phenyl-pyrazole and its analogues ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2021-03-02 US disclosed
US-8951503-B2 Optical determination of glucose utilizing boronic acid adducts THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-02-10 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-10937976-B2 Tetradentate platinum and palladium complex emitters containing phenyl-pyrazole and its analogues PDCD1, PDCD11, TYMP MAPT 360/4885KDM4E 4423/4885ERN1 2242/4885

“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.