SCHEMBL13761488

SCHEMBL13761488

CC(C)NC(=O)c1ccccc1N(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.58
▸ TP53 P04637 1/20 0.58
▸ GAA P10253 1/20 0.58
▸ MAPT P10636 1/20 0.58
▸ TSHR P16473 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ KCNB1 Q14721 1/20 0.47
▸ KCNB2 Q92953 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ LMNA P02545 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ MAOA P21397 1/20 0.44
▸ MAOB P27338 1/20 0.44
▸ BRD4 O60885 1/20 0.44
▸ ADRA1D P25100 1/20 0.44
▸ ADRA1A P35348 1/20 0.44

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
SCHEMBL20621120 0.81 MEN1 (0.51) ALDH1A1TP53MAPTSMN1; SMN2MEN1
SCHEMBL28002176 0.79 GAA (0.64) ALDH1A1TP53GAAMAPTTSHR
SCHEMBL7446834 0.79 GAA (0.64) ALDH1A1TP53GAAMAPTTSHR
SCHEMBL962276 0.78 ALDH1A1 (0.62) ALDH1A1TP53GAAMAPTTSHR
SCHEMBL9549306 0.78 MLYCD (0.49) ALDH1A1TP53GAAMAPTTSHR
SCHEMBL14890370 0.77 ALDH1A1 (0.44) ALDH1A1TP53GAAMAPTTSHR
SCHEMBL14890229 0.76 ALDH1A1 (0.43) ALDH1A1TP53GAAMAPTTSHR
SCHEMBL163587 0.76 ALDH1A1 (0.54) ALDH1A1MEN1KMT2APKMKDM4E
SCHEMBL799166 0.76 KCNK3 (0.53) ALDH1A1MEN1KMT2APKMKDM4E
SCHEMBL6105988 0.76 LMNA (0.69) ALDH1A1TP53GAAMAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348369-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-11-02 — — US disclosed
US-20230348369-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-11-02 — — US disclosed
US-20170334841-A1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. 2017-11-23 — — US disclosed
US-7576117-B1 Cyclic amine CCR3 antagonist TEIJIN LIMITED (JP) 2009-08-18 — — 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 (2 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-20230348369-A1 NAMPT MODULATORS NAMPT, NNT, NAPRT ALDH1A1 982/4885TP53 4796/4885GAA 1993/4885
US-20170334841-A1 TETRACYCLINE COMPOUNDS TUBB, TUBA1A, TUBA1C ALDH1A1 2768/4885TP53 3024/4885GAA 597/4885

“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.

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