SCHEMBL20421663

SCHEMBL20421663

Nc1ccc2ccccc2c1-c1c(NC(=O)c2cccnc2)ccc2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 13/20 0.61
▸ HDAC3 O15379 3/20 0.61
▸ HDAC2 Q92769 3/20 0.61
▸ ALDH1A1 P00352 3/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ MEN1 O00255 1/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ ABCC9 O60706 1/20 0.52
▸ ABCC8 Q09428 1/20 0.52
▸ KCNJ11 Q14654 1/20 0.52
▸ KCNJ8 Q15842 1/20 0.52
▸ HTT P42858 2/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ EPHA2 P29317 1/20 0.50
▸ HDAC4 P56524 1/20 0.50

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
SCHEMBL20421676 0.87 ALDH1A1 (0.54) HDAC1HDAC3HDAC2ALDH1A1KDM4E
SCHEMBL30237970 0.86 MEN1 (0.60) HDAC1HDAC3HDAC2CYP1A2CYP2C19
SCHEMBL20458608 0.84 HDAC1 (0.47) HDAC1HDAC3HDAC2ALDH1A1KDM4E
SCHEMBL28677805 0.79 ALDH1A1 (0.78) HDAC1HDAC3HDAC2ALDH1A1KDM4E
SCHEMBL20458589 0.79 HDAC1 (0.47) HDAC1HDAC3HDAC2ALDH1A1KDM4E
SCHEMBL20436311 0.79 ABCC9 (0.48) HDAC1HDAC3HDAC2ALDH1A1KDM4E
SCHEMBL18086514 0.76 HDAC1 (1.00) HDAC1HDAC3HDAC2ALDH1A1HTT
SCHEMBL4125050 0.75 KDM4E (0.49) HDAC1HDAC3HDAC2ALDH1A1KDM4E
SCHEMBL20436307 0.75 ITGB3 (0.48) HDAC1HDAC3HDAC2ALDH1A1KDM4E
SCHEMBL18086524 0.74 HDAC1 (0.68) HDAC1HDAC3HDAC2ALDH1A1KDM4E

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 8 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
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 HDAC1 1839/4885HDAC3 1781/4885HDAC2 1665/4885
US-20180217113-A1 METHOD FOR ANALYZING ENANTIOMER DCX, INF2, SRD5A2 HDAC1 1839/4885HDAC3 1781/4885HDAC2 1665/4885

“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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