SCHEMBL20421679

SCHEMBL20421679

CC(=O)Nc1cccc(C)c1-c1c(C)cccc1N

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.59
▸ HPGD P15428 2/20 0.59
▸ PARP14 Q460N5 1/20 0.50
▸ MAOA P21397 1/20 0.49
▸ HSD17B10 Q99714 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ KMT2A Q03164 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ CASP3 P42574 1/20 0.45
▸ HDAC1 Q13547 3/20 0.44
▸ HDAC3 O15379 2/20 0.44
▸ HDAC2 Q92769 2/20 0.44
▸ AHR P35869 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ CCNE2 O96020 1/20 0.43
▸ CCNE1 P24864 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ EPHX1 P07099 1/20 0.42

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
SCHEMBL20458594 0.85 ALDH1A1 (0.59) ALDH1A1HPGDPARP14MAOAHSD17B10
SCHEMBL5285258 0.80 ALDH1A1 (0.55) ALDH1A1HPGDMAOAHSD17B10KDM4E
SCHEMBL8777843 0.79 MAOA (0.74) ALDH1A1HPGDMAOAHSD17B10KDM4E
SCHEMBL31040610 0.79 MAOA (0.74) ALDH1A1HPGDMAOAHSD17B10KDM4E
SCHEMBL20421627 0.79 ALDH1A1 (0.54) ALDH1A1HPGDPARP14MAOAHSD17B10
SCHEMBL31040609 0.79 MAOA (0.74) ALDH1A1HPGDMAOAHSD17B10KDM4E
Hydrochloric Acid SCHEMBL28755176 0.79 ALDH1A1 (0.63) ALDH1A1HPGDPARP14MAOAHSD17B10
SCHEMBL5516360 0.78 ALDH1A1 (0.52) ALDH1A1HPGDMAOAHSD17B10KDM4E
SCHEMBL29904721 0.77 ALDH1A1 (0.61) ALDH1A1HPGDHSD17B10HDAC1HDAC3
SCHEMBL463597 0.77 ALDH1A1 (0.61) ALDH1A1HPGDHSD17B10HDAC1HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11327060-B2 Method for analyzing enantiomer AJINOMOTO CO., INC. (JP) 2022-05-10 — — US disclosed
US-11327060-B2 Method for analyzing enantiomer AJINOMOTO CO., INC. (JP) 2022-05-10 — — US disclosed
EP-3358346-B1 ENANTIOMER ANALYSIS METHOD AJINOMOTO KK (JP) 2022-01-19 — — EP disclosed
EP-3358346-B1 ENANTIOMER ANALYSIS METHOD AJINOMOTO KK (JP) 2022-01-19 — — EP disclosed
EP-3358346-A1 ENANTIOMER ANALYSIS METHOD Ajinomoto Co., Inc. (JP) 2018-08-08 — — EP disclosed
EP-3358346-A1 ENANTIOMER ANALYSIS METHOD Ajinomoto Co., Inc. (JP) 2018-08-08 — — EP disclosed
US-20180217113-A1 METHOD FOR ANALYZING ENANTIOMER AJINOMOTO CO., INC. (JP) 2018-08-02 — — US disclosed
US-20180217113-A1 METHOD FOR ANALYZING ENANTIOMER AJINOMOTO CO., INC. (JP) 2018-08-02 — — US disclosed
US-20180217113-A1 METHOD FOR ANALYZING ENANTIOMER AJINOMOTO CO., INC. (JP) 2018-08-02 — — 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-11327060-B2 Method for analyzing enantiomer DCX, INF2, SRD5A2 ALDH1A1 834/4885HPGD 1872/4885PARP14 2177/4885
US-20180217113-A1 METHOD FOR ANALYZING ENANTIOMER DCX, INF2, SRD5A2 ALDH1A1 834/4885HPGD 1872/4885PARP14 2177/4885

“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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