SCHEMBL20355533

SCHEMBL20355533

CC(C)c1ncccc1N1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.44
▸ MAPK1 P28482 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ GAA P10253 3/20 0.43
▸ KEAP1 Q14145 1/20 0.43
▸ TNNI3 P19429 1/20 0.42
▸ TNNT2 P45379 1/20 0.42
▸ TNNC1 P63316 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ PIM1 P11309 2/20 0.42
▸ PIM3 Q86V86 1/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ PDE10A Q9Y233 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ KCNA5 P22460 3/20 0.40

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
SCHEMBL16265118 0.83 CYP1A2 (0.43) MAPTALDH1A1TDP1L3MBTL1GAA
SCHEMBL15275375 0.78 GAA (0.50) MAPTMAPK1ALDH1A1KDM4ETDP1
SCHEMBL23502014 0.76 AURKA (0.47) MAPTALDH1A1KDM4EL3MBTL1SMN1; SMN2
SCHEMBL2096941 0.74 CYP1A2 (0.47) MAPTMAPK1ALDH1A1KDM4ETDP1
SCHEMBL2096944 0.74 PIM1 (0.50) MAPTMAPK1ALDH1A1KDM4ETDP1
SCHEMBL14659450 0.74 CYP1A2 (0.47) MAPTMAPK1ALDH1A1KDM4ETDP1
SCHEMBL8601978 0.74 KEAP1 (0.46) MAPTMAPK1ALDH1A1KDM4ETDP1
SCHEMBL5067333 0.74 KEAP1 (0.55) MAPTMAPK1ALDH1A1KDM4ETDP1
SCHEMBL28265996 0.74 GAA (0.54) MAPTMAPK1ALDH1A1KDM4ETDP1
SCHEMBL2609324 0.74 CYP1A2 (0.51) ALDH1A1KDM4EL3MBTL1GAASMN1; 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-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2018-07-05 — — 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-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 MAPT 2406/4885MAPK1 2818/4885ALDH1A1 1480/4885

“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.

Send feedback