SCHEMBL22375413

SCHEMBL22375413

CC(C)(C)c1cc(N(Cc2ccccn2)Cc2ccccn2)c(O)c(N(Cc2ccccn2)Cc2ccccn2)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.45
NR1H3 Q13133 2/20 0.45
ALDH1A1 P00352 5/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 1/20 0.42
LIN28A Q9H9Z2 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
GAA P10253 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
CYP1A2 P05177 1/20 0.39
CHRNA7 P36544 2/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL20882972 0.85 MAPT (0.47) NR1H2NR1H3MEN1KMT2ANPSR1
SCHEMBL18157965 0.84 GAA (0.39) NR1H2NR1H3ALDH1A1MEN1KMT2A
SCHEMBL20882978 0.81 TDP1 (0.46) NR1H2NR1H3MEN1KMT2ANPSR1
SCHEMBL20882988 0.80 SMN1; SMN2 (0.42) NR1H2NR1H3ALDH1A1POLBSMN1; SMN2
SCHEMBL14921039 0.79 CYP2C19 (0.50) NR1H2NR1H3ALDH1A1MEN1KMT2A
SCHEMBL16000559 0.76 NR1H2 (0.59) NR1H2NR1H3ALDH1A1MEN1KMT2A
SCHEMBL5049849 0.72 ESR1 (0.45) NR1H2NR1H3MEN1KMT2ASMN1; SMN2
SCHEMBL26112722 0.72 CYP2D6 (0.55) NR1H2NR1H3ALDH1A1MEN1KMT2A
SCHEMBL18695436 0.71 GAA (0.47) ALDH1A1MEN1KMT2ANPSR1POLB
SCHEMBL8179853 0.71 MAPT (0.45) NR1H2NR1H3KMT2ANPSR1SMN1; SMN2

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-20200270218-A1 SENSORS FOR DETECTION OF NEGATIVELY CHARGED PHOSPHATE-CONTAINING MEMBRANES AND MEMBRANE COMPONENTS THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2020-08-27 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-20200270218-A1 SENSORS FOR DETECTION OF NEGATIVELY CHARGED PHOSPHATE-CONTAINING MEMBRANES AND MEMBRANE COMPONENTS PHOSPHO1, PTEN, INPPL1 NR1H2 3695/4885NR1H3 3809/4885ALDH1A1 4871/4885

“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.