SCHEMBL13627733

SCHEMBL13627733

[N-]=[N+]=NCc1ccc(O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.47
▸ HDAC3 O15379 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ ESR1 P03372 4/20 0.44
▸ ESR2 Q92731 2/20 0.44
▸ ABAT P80404 1/20 0.41
▸ CA2 P00918 3/20 0.40
▸ MIF P14174 1/20 0.39
▸ IDO1 P14902 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ ADRA2A P08913 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HTR3A P46098 1/20 0.38
▸ BACE1 P56817 1/20 0.38

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
SCHEMBL14189703 0.88 HDAC3 (0.45) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL13627643 0.82 HDAC3 (0.43) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL15590852 0.81 HDAC3 (0.41) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL15590854 0.81 HDAC3 (0.41) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL15233019 0.81 HDAC1 (0.41) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL17077962 0.80 ESR1 (0.54) ESR1ESR2ABATCA2MIF
SCHEMBL14280518 0.79 HDAC3 (0.44) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL13435556 0.77 TAAR1 (0.41) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL13590556 0.77 HDAC3 (0.40) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL21328519 0.77 HDAC3 (0.40) HDAC3HDAC1HDAC2HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115974847-B 3- (1, 2, 3-Triazole-4-yl) tetrahydroquinazoline-2, 4-dione derivative, and preparation method and application thereof 中国药科大学 2024-12-20 — — CN disclosed
CN-118994003-A 2-Oxo subunit-1H-quinoline-4-formic acid derivative, preparation method and application thereof 中国药科大学 2024-11-22 — — CN disclosed
CN-115974847-A 3- (1,2,3-triazole-4-yl) tetrahydroquinazoline-2,4-diketone derivative and preparation method and application thereof 中国药科大学 2023-04-18 — — CN disclosed
EP-3740493-B1 INHIBTEURS DE L'INDOLEAMINE 2,3-DIOXYGÉNASE ET/OU DU TRYPTOPHANE DIOXYGÉNASE IDORSIA PHARMACEUTICALS LTD (CH) 2021-12-01 — — EP disclosed
US-20210106604-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Pharmaceuticals, Inc. 2021-04-15 — — US disclosed
EP-3797782-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF FOR USE IN THE TREATMENT OF VIRAL INFECTIONS Janssen BioPharma, Inc. (US) 2021-03-31 — — EP disclosed
US-20200405696-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE IDORSIA PHARMACEUTICALS LTD (CH) 2020-12-31 — — US disclosed
EP-3740493-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE Idorsia Pharmaceuticals Ltd (CH) 2020-11-25 — — EP disclosed
EP-3160476-B1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF FOR USE IN THE TREATMENT OF VIRAL INFECTION JANSSEN BIOPHARMA INC (US) 2020-09-30 — — EP disclosed
US-20200290980-A1 POLYCATENAR LIGANDS AND HYBRID NANOPARTICLES MADE THEREFROM CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2020-09-17 — — US disclosed
US-7601796-B2 polyamideether copolymer has a hydrophilic polyethylene glycol and a hydrophobic polyamino acid blocks; modified polyethylene glycol homopolymer; forming conjugate polymer drug; resin peptides; use in pharmaceutically acceptable compositions INTEZYNE TECHNOLOGIES, INC. (US) 2009-10-13 — — US disclosed
US-7601796-B2 polyamideether copolymer has a hydrophilic polyethylene glycol and a hydrophobic polyamino acid blocks; modified polyethylene glycol homopolymer; forming conjugate polymer drug; resin peptides; use in pharmaceutically acceptable compositions INTEZYNE TECHNOLOGIES, INC. (US) 2009-10-13 — — US disclosed
US-7560588-B2 Poly(ethylene glycol) containing chemically disparate endgroups INTEZYNE TECHNOLOGIES, INC. (US) 2009-07-14 — — US disclosed
US-7560588-B2 Poly(ethylene glycol) containing chemically disparate endgroups INTEZYNE TECHNOLOGIES, INC. (US) 2009-07-14 — — US disclosed
US-20080207913-A1 Poly(ethylene glycol) containing chemically disparate endgroups INTEZYNE TECHNOLOGIES (US) 2008-08-28 — — US disclosed
US-20080207913-A1 Poly(ethylene glycol) containing chemically disparate endgroups INTEZYNE TECHNOLOGIES (US) 2008-08-28 — — US disclosed
US-20080188638-A1 Heterobifunctional poly(ethyleneglycol) containing acid-labile amino protecting groups and uses thereof INTEZYNE TECHNOLOGIES (US) 2008-08-07 — — US disclosed
US-20080188638-A1 Heterobifunctional poly(ethyleneglycol) containing acid-labile amino protecting groups and uses thereof INTEZYNE TECHNOLOGIES (US) 2008-08-07 — — US disclosed
WO-2007127440-A2 HETEROFUNCTIONAL POLY(ETHYLENE GLYCOL) CONTAINING ACID-LABILE AMINO PROTECTING GROUPS AND USES THEREOF INTEZYNE TECHNOLOGIES, INC. (US) 2007-11-08 — — WO disclosed
WO-2007127473-A2 POLY (ETHYLENE GLYCOL) CONTAINING CHEMICALLY DISPARATE ENDGROUPS INTEZYNE TECHNOLOGIES, INC. (US) 2007-11-08 — — 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 (5 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-20200290980-A1 POLYCATENAR LIGANDS AND HYBRID NANOPARTICLES MADE THEREFROM PICALM, CD63, EPCAM TRPA1 3152/4885HDAC3 3824/4885HDAC1 3416/4885
US-20080188638-A1 Heterobifunctional poly(ethyleneglycol) containing acid-labile amino protecting groups and uses thereof LNPEP, GNE, DNPEP TRPA1 4787/4885HDAC3 2920/4885HDAC1 3493/4885
US-20200405696-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE IDO2, TDO2, IDO1 TRPA1 3572/4885HDAC3 810/4885HDAC1 682/4885
US-20080207913-A1 Poly(ethylene glycol) containing chemically disparate endgroups GNE, EPRS1, ALG1 TRPA1 4822/4885HDAC3 3383/4885HDAC1 3796/4885
US-20210106604-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C3B TRPA1 4450/4885HDAC3 3726/4885HDAC1 3500/4885

“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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