SCHEMBL23686166

SCHEMBL23686166

Cc1ccc(/C=N/C(C)(C)C)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.58
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
GRIN2D O15399 2/20 0.45
GRIN3B O60391 2/20 0.45
GRIN1 Q05586 2/20 0.45
GRIN2A Q12879 2/20 0.45
GRIN2B Q13224 2/20 0.45
GRIN2C Q14957 2/20 0.45
GRIN3A Q8TCU5 2/20 0.45
CYP2A6 P11509 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ATM Q13315 1/20 0.39
TSHR P16473 1/20 0.39
ACHE P22303 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NFE2L2 Q16236 1/20 0.38
PTGS2 P35354 3/20 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
SCHEMBL23686165 0.79 MAOB (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL21137793 0.79 ALDH1A1 (0.56) SMN1; SMN2RAB9AALDH1A1MEN1KMT2A
SCHEMBL2498833 0.79 ALDH1A1 (0.56) SMN1; SMN2RAB9AALDH1A1MEN1KMT2A
SCHEMBL4024136 0.78 LMNA (0.52) NPC1RAB9AGRIN2DGRIN3BGRIN1
SCHEMBL3258201 0.78 LMNA (0.52) NPC1RAB9AGRIN2DGRIN3BGRIN1
SCHEMBL12593473 0.78 LMNA (0.52) NPC1RAB9AGRIN2DGRIN3BGRIN1
SCHEMBL862550 0.77 SMN1; SMN2 (0.67) SMN1; SMN2NPC1RAB9AGRIN2DGRIN3B
SCHEMBL21527117 0.77 SMN1; SMN2 (0.67) SMN1; SMN2NPC1RAB9AGRIN2DGRIN3B
SCHEMBL2152564 0.76 GRIN2D (0.50) SMN1; SMN2NPC1RAB9AGRIN2DGRIN3B
SCHEMBL29525159 0.74 ALDH1A1 (0.56) SMN1; SMN2NPC1RAB9ACYP2A6ALDH1A1

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-20210230149-A1 ARYLNAPHTHALENE COMPOUNDS AS VACUOLAR-ATPASE INHIBITORS AND THE USE THEREOF PURDUE RESEARCH FOUNDATION (US) 2021-07-29 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-20210230149-A1 ARYLNAPHTHALENE COMPOUNDS AS VACUOLAR-ATPASE INHIBITORS AND THE USE THEREOF VCP, ATP6V1H, NSF SMN1; SMN2 1540/4885NPC1 65/4885RAB9A 1429/4885

“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.