SCHEMBL22607402

SCHEMBL22607402

CC(C)(C)c1cc2c(cn1)NCCC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
MAPT P10636 4/20 0.38
KDM4E B2RXH2 2/20 0.38
GAA P10253 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
THRB P10828 1/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38
HTT P42858 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ATM Q13315 1/20 0.35
NNMT P40261 1/20 0.35
AR P10275 2/20 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
SCHEMBL22607442 0.90 DRD2 (0.38) CA12CA1CA2CA9MAPT
SCHEMBL18806885 0.87 MAPT (0.43) CA12CA1CA2CA9MAPT
SCHEMBL19154088 0.77 ATM (0.41) CA12CA1CA2CA9MAPT
SCHEMBL22047820 0.76 GFER (0.35) MAPTALDH1A1NNMTAR
SCHEMBL11977458 0.74 NOS3 (0.45) CA12CA1CA2
SCHEMBL10220861 0.74 NOS3 (0.50) ALDH1A1LMNACYP11B2
SCHEMBL22607443 0.74 SMN1; SMN2 (0.35) MAPTKDM4EGAAALDH1A1LMNA
SCHEMBL17785638 0.74 MAPT (0.40) CA12CA1CA2CA9MAPT
SCHEMBL19461279 0.74 MAPT (0.40) CA12CA1CA2CA9MAPT
SCHEMBL31248979 0.74 MAPT (0.40) CA12CA1CA2CA9MAPT

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-20200339569-A1 1,2,4-OXADIAZOLE DERIVATIVES AS HISTONE DEACETYLASE 6 INHIBITORS ORYZON GENOMICS, S.A. (ES) 2020-10-29 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-20200339569-A1 1,2,4-OXADIAZOLE DERIVATIVES AS HISTONE DEACETYLASE 6 INHIBITORS HDAC6, HDAC1, HDAC3 CA12 2716/4885CA1 2241/4885CA2 2509/4885

“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.