SCHEMBL16288084

SCHEMBL16288084

[N-]=[N+]=Nc1ccc(CO[C]=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA5A P35218 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CA5B Q9Y2D0 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ CYP51A1 Q16850 3/20 0.40
▸ SMO Q99835 3/20 0.34
▸ PTGS2 P35354 3/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ PSMB8 P28062 1/20 0.33
▸ SCN1A P35498 1/20 0.33
▸ SCN2A Q99250 1/20 0.33
▸ SCN3A Q9NY46 1/20 0.33
▸ DNM1 Q05193 1/20 0.32
▸ HDAC3 O15379 1/20 0.31
▸ HDAC8 Q9BY41 1/20 0.31
▸ NCOR2 Q9Y618 1/20 0.31
▸ SFN P31947 1/20 0.31

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
SCHEMBL18074915 0.79 CYP51A1 (0.45) CA1CA2CA5ACA9CA5B
SCHEMBL22683759 0.76 CYP51A1 (0.42) CA1CA2CA5ACA9CA5B
SCHEMBL23157402 0.76 IDO1 (0.48) CA1CA2CA5ACA9CA5B
SCHEMBL16288086 0.75 CA1 (0.41) CA1CA2CA5ACA9CA5B
SCHEMBL29101 0.73 MEN1 (0.45) TSHR
SCHEMBL29100 0.73 MEN1 (0.45) TSHR
SCHEMBL26048600 0.73 PTGS2 (0.41) CA1CA2CA5ACA9CA5B
SCHEMBL16242461 0.72 CA1 (0.48) CA1CA2CA5ACA9CA5B
SCHEMBL15083519 0.72 CA1 (0.42) CA1CA2CA5ACA9CA5B
SCHEMBL23157115 0.72 TP53 (0.42) CA1CA2CA5ACA9CA5B

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240197924-A1 CHEMILUMINESCENT PROBES FOR DIAGNOSTICS AND IN VIVO IMAGING RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2024-06-20 — — US claimed
WO-2020022892-A1 TUBULYSIN DERIVATIVES AND METHODS FOR PREPARING THE SAME RIJKSUNIVERSITEIT GRONINGEN (NL) 2020-01-30 — — WO claimed
US-20240166689-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-05-23 — — US disclosed
US-11891457-B2 Peptide-compound cyclization method CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-02-06 — — US disclosed
US-11241507-B2 Near-infrared chemiluminescent probes for in-vivo imaging RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2022-02-08 — — US disclosed
EP-2813512-B1 PEPTIDE-COMPOUND CYCLIZATION METHOD CHUGAI PHARMACEUTICAL CO LTD (JP) 2021-03-31 — — EP disclosed
US-20210061860-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2021-03-04 — — US disclosed
CN-111936627-A Asparaginase activity polypeptides, expression cassettes, expression vectors, host cells, compositions, methods, cancer prevention or treatment uses 奥斯瓦道·克鲁兹基金会 2020-11-13 — — CN 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
EP-3041852-B1 SEPARATION MATERIAL COMPRISING PHOSPHORYL CHOLINE DERIVATIVES PENTRACOR GMBH (DE) 2017-05-31 — — EP disclosed
US-20170120163-A1 SEPARATION MATERIAL COMPRISING PHOSPHORYL CHOLINE DERIVATIVES PENTRACOR GMBH (DE) 2017-05-04 — — US disclosed
US-20160311858-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-10-27 — — US disclosed
US-9409952-B2 Peptide-compound cyclization method CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-08-09 — — US disclosed
EP-3041852-A1 SEPARATION MATERIAL COMPRISING PHOSPHORYL CHOLINE DERIVATIVES Pentracor GmbH (DE) 2016-07-13 — — EP disclosed
EP-2957563-A1 Separation material comprising phosphoryl choline derivatives Pentracor GmbH (DE) 2015-12-23 — — EP disclosed
WO-2015193504-A1 SEPARATION MATERIAL COMPRISING PHOSPHORYL CHOLINE DERIVATIVES PENTRACOR GMBH (DE) 2015-12-23 — — WO disclosed
US-20150080549-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-03-19 — — US disclosed
EP-2813512-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD Chugai Seiyaku Kabushiki Kaisha (JP) 2014-12-17 — — EP 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 (10 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-20170120163-A1 SEPARATION MATERIAL COMPRISING PHOSPHORYL CHOLINE DERIVATIVES CHKA, PHOSPHO1, C3AR1 CA1 1282/4885CA2 1814/4885CA5A 3843/4885
US-11891457-B2 Peptide-compound cyclization method VIP, NGLY1, GLP1R CA1 1024/4885CA2 2242/4885CA5A 2761/4885
US-20210061860-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD VIP, NGLY1, GLP1R CA1 1024/4885CA2 2242/4885CA5A 2761/4885
US-20200040372-A1 METHOD FOR SYNTHESIZING PEPTIDES IN CELL-FREE TRANSLATION SYSTEM AARS1, NSUN3, RNGTT CA1 4578/4885CA2 4555/4885CA5A 3583/4885
US-20240166689-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD VIP, NGLY1, GLP1R CA1 1024/4885CA2 2242/4885CA5A 2761/4885
US-20200131669-A1 CYCLIC PEPTIDE COMPOUND HAVING HIGH MEMBRANE PERMEABILITY, AND LIBRARY CONTAINING SAME VIP, SLC7A1, TRPV1 CA1 1979/4885CA2 1042/4885CA5A 1843/4885
US-20160311858-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD VIP, NGLY1, GLP1R CA1 1024/4885CA2 2242/4885CA5A 2761/4885
US-11241507-B2 Near-infrared chemiluminescent probes for in-vivo imaging DHPS, DOHH, DAZAP1 CA1 45/4885CA2 1474/4885CA5A 475/4885
US-20150080549-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD VIP, NGLY1, GLP1R CA1 1024/4885CA2 2242/4885CA5A 2761/4885
US-20240197924-A1 CHEMILUMINESCENT PROBES FOR DIAGNOSTICS AND IN VIVO IMAGING DAXX, CDYL, AOC1 CA1 471/4885CA2 1682/4885CA5A 352/4885

“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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