SCHEMBL20436307

SCHEMBL20436307

O=C(Nc1ccc2ccccc2c1-c1c(NC(=O)N2CCCC2C(=O)O)ccc2ccccc12)c1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 1/20 0.48
▸ ITGB1 P05556 1/20 0.48
▸ ITGAV P06756 1/20 0.48
▸ ITGA5 P08648 1/20 0.48
▸ ITGA4 P13612 1/20 0.48
▸ ACE P12821 1/20 0.44
▸ TRPV1 Q8NER1 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ ABCC9 O60706 1/20 0.42
▸ ABCC8 Q09428 1/20 0.42
▸ KCNJ11 Q14654 1/20 0.42
▸ KCNJ8 Q15842 1/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL20436312 0.81 ITGB3 (0.60) ITGB3ITGB1ITGAVITGA5ITGA4
SCHEMBL20436306 0.78 ITGB3 (0.55) ITGB3ITGB1ITGAVITGA5ITGA4
SCHEMBL20421676 0.76 ALDH1A1 (0.54) ALDH1A1KDM4ECYP1A2CYP2C19ABCC9
SCHEMBL20421663 0.75 HDAC1 (0.61) ALDH1A1KDM4ECYP1A2CYP2C19ABCC9
SCHEMBL5950094 0.73 THRB (0.61) ITGB3ITGB1ITGAVITGA5ITGA4
SCHEMBL20436311 0.72 ABCC9 (0.48) ALDH1A1KDM4ECYP1A2CYP2C19ABCC9
SCHEMBL2226530 0.72 ALDH1A1 (0.66) ACEALDH1A1DPP4PREPFAP
SCHEMBL4893223 0.72 ALDH1A1 (0.66) ACEALDH1A1DPP4PREPFAP
SCHEMBL6860849 0.70 ALDH1A1 (0.50) ACEALDH1A1SMN1; SMN2DPP4PREP
SCHEMBL28677805 0.69 ALDH1A1 (0.78) ALDH1A1KDM4ECYP1A2CYP2C19ABCC9

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 5 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
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

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 ITGB3 4498/4885ITGB1 4615/4885ITGAV 4755/4885
US-20180217113-A1 METHOD FOR ANALYZING ENANTIOMER DCX, INF2, SRD5A2 ITGB3 4498/4885ITGB1 4615/4885ITGAV 4755/4885

“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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