SCHEMBL22374288

SCHEMBL22374288

CC(C)c1cccc(CC(C)c2cc(CC(C)c3cccnc3)ccn2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
CLK1 P49759 1/20 0.41
DYRK1A Q13627 1/20 0.41
NR3C2 P08235 1/20 0.39
NAMPT P43490 1/20 0.38
RORC P51449 1/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
CFTR P13569 1/20 0.36
GOPC Q9HD26 1/20 0.36
ACHE P22303 1/20 0.35
ALPL P05186 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL20968027 0.89 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1HTTCLK1DYRK1A
SCHEMBL20694181 0.88 NR3C2 (0.42) SMN1; SMN2ALDH1A1HTTNR3C2SLC6A2
SCHEMBL19954875 0.83 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1HTTCLK1DYRK1A
SCHEMBL18683654 0.82 NR3C2 (0.46) SMN1; SMN2ALDH1A1HTTNR3C2SLC6A2
SCHEMBL25135962 0.81 NR3C2 (0.36) SMN1; SMN2ALDH1A1HTTNR3C2SLC6A2
SCHEMBL24344055 0.79 NR3C2 (0.43) SMN1; SMN2ALDH1A1HTTNR3C2SLC6A2
SCHEMBL18950253 0.77 SLC6A2 (0.42) SMN1; SMN2ALDH1A1HTTNR3C2SLC6A2
SCHEMBL22197081 0.77 KCNA5 (0.43) SMN1; SMN2ALDH1A1HTTNAMPTL3MBTL1
SCHEMBL21161714 0.76 ALPL (0.39) SMN1; SMN2ALDH1A1HTTCLK1DYRK1A
SCHEMBL27295384 0.75 SLC6A2 (0.47) SMN1; SMN2ALDH1A1HTTCLK1DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303489-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE AQUINNAH PHARMACEUTICALS INC (US) 2023-09-28 US disclosed
US-11542233-B2 Compounds, compositions and methods of use AQUINNAH PHARMACEUTICALS, INC. (US) 2023-01-03 US disclosed
US-20200270211-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE AQUINNAH PHARMACEUTICALS INC (US) 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 (3 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-11542233-B2 Compounds, compositions and methods of use FUS, TFEB, CLN6 SMN1; SMN2 35/4885ALDH1A1 3706/4885HTT 56/4885
US-20200270211-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE FUS, TFEB, CLN6 SMN1; SMN2 35/4885ALDH1A1 3706/4885HTT 56/4885
US-20230303489-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE FUS, TFEB, CLN6 SMN1; SMN2 35/4885ALDH1A1 3706/4885HTT 56/4885

“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.