SCHEMBL20467625

SCHEMBL20467625

O=C(Cc1ccc(F)cc1)Nc1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.65
▸ HTR2A P28223 1/20 0.56
▸ MAPT P10636 5/20 0.56
▸ MEN1 O00255 5/20 0.56
▸ KMT2A Q03164 5/20 0.56
▸ HTT P42858 2/20 0.56
▸ MAPK1 P28482 3/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ GAA P10253 3/20 0.53
▸ MAOA P21397 1/20 0.50
▸ MAOB P27338 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.49
▸ TP53 P04637 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ POLB P06746 1/20 0.47
▸ CA12 O43570 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ MMP1 P03956 1/20 0.47

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
SCHEMBL17856871 0.90 HTR2A (0.57) ALDH1A1HTR2AMAPTMEN1KMT2A
SCHEMBL6648196 0.88 HTR2A (0.70) ALDH1A1HTR2AMAPTMAPK1L3MBTL1
SCHEMBL3037119 0.83 HTR2A (0.68) ALDH1A1HTR2AMAPTMEN1KMT2A
SCHEMBL25189373 0.83 HTR2A (0.65) ALDH1A1HTR2AMAPTMEN1KMT2A
SCHEMBL14148578 0.82 KMT2A (0.48) ALDH1A1HTR2AMAPTMEN1KMT2A
SCHEMBL5827968 0.81 HTR2A (0.80) ALDH1A1HTR2AHTTMAPK1L3MBTL1
SCHEMBL20067655 0.81 HTR2A (0.56) ALDH1A1HTR2AMAPTMEN1KMT2A
SCHEMBL29878239 0.81 ALDH1A1 (0.60) ALDH1A1HTR2AMAPTMEN1KMT2A
SCHEMBL19733671 0.80 ALDH1A1 (0.59) ALDH1A1HTR2AMAPTMEN1KMT2A
SCHEMBL18391331 0.79 HTR2A (0.66) ALDH1A1HTR2AMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12637494-B2 Method for producing peptide containing non-natural amino acid CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2026-05-26 — — US disclosed
US-20230069218-A1 METHOD FOR PRODUCING PEPTIDE CONTAINING NON-NATURAL AMINO ACID CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-03-02 — — US disclosed
EP-4074829-A1 METHOD FOR PRODUCING PEPTIDE CONTAINING NON-NATURAL AMINO ACID CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2022-10-19 — — EP disclosed
US-20200131669-A1 CYCLIC PEPTIDE COMPOUND HAVING HIGH MEMBRANE PERMEABILITY, AND LIBRARY CONTAINING SAME CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2020-04-30 — — US disclosed
EP-3636807-A1 CYCLIC PEPTIDE COMPOUND HAVING HIGH MEMBRANE PERMEABILITY, AND LIBRARY CONTAINING SAME Chugai Seiyaku Kabushiki Kaisha (JP) 2020-04-15 — — EP disclosed
US-20200040372-A1 METHOD FOR SYNTHESIZING PEPTIDES IN CELL-FREE TRANSLATION SYSTEM CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2020-02-06 — — US disclosed
WO-2018143145-A1 METHOD FOR SYNTHESIZING PEPTIDES IN CELL-FREE TRANSLATION SYSTEM 中外製薬株式会社 2018-08-09 — — WO 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 (4 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-12637494-B2 Method for producing peptide containing non-natural amino acid MRPL21, RPL21, RPL30 ALDH1A1 4795/4885HTR2A 4734/4885MAPT 3601/4885
US-20230069218-A1 METHOD FOR PRODUCING PEPTIDE CONTAINING NON-NATURAL AMINO ACID MRPL21, RPL41, RPL21 ALDH1A1 4179/4885HTR2A 4654/4885MAPT 4281/4885
US-20200040372-A1 METHOD FOR SYNTHESIZING PEPTIDES IN CELL-FREE TRANSLATION SYSTEM AARS1, NSUN3, RNGTT ALDH1A1 4757/4885HTR2A 3080/4885MAPT 4068/4885
US-20200131669-A1 CYCLIC PEPTIDE COMPOUND HAVING HIGH MEMBRANE PERMEABILITY, AND LIBRARY CONTAINING SAME VIP, SLC7A1, TRPV1 ALDH1A1 4817/4885HTR2A 34/4885MAPT 3433/4885

“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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