SCHEMBL5004367

SCHEMBL5004367

COCCOc1ccc([N+](=O)[O-])cn1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
PABPC1 P11940 2/20 0.51
HSPB1 P04792 2/20 0.50
GAA P10253 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP2C19 P33261 2/20 0.47
GABRA5 P31644 1/20 0.46
MAPT P10636 4/20 0.46
NPSR1 Q6W5P4 1/20 0.46
POLB P06746 1/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
CYP1A2 P05177 1/20 0.42
PKM P14618 1/20 0.42
PPARG P37231 1/20 0.41
HTT P42858 1/20 0.40

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
SCHEMBL12173136 0.95 KMT2A (0.48) KMT2AMEN1PABPC1HSPB1GAA
SCHEMBL17672793 0.85 HSPB1 (0.51) KMT2AMEN1PABPC1HSPB1GAA
SCHEMBL3333575 0.84 MAPT (0.58) KMT2AMEN1PABPC1HSPB1GAA
SCHEMBL12173145 0.83 HSPB1 (0.47) KMT2AMEN1PABPC1HSPB1GAA
SCHEMBL12173143 0.83 HSPB1 (0.47) KMT2AMEN1PABPC1HSPB1GAA
SCHEMBL25696241 0.83 HSPB1 (0.47) KMT2AMEN1PABPC1HSPB1GAA
SCHEMBL5004370 0.83 HSPB1 (0.49) KMT2AMEN1PABPC1HSPB1GAA
SCHEMBL29024512 0.82 HSPB1 (0.51) KMT2AMEN1PABPC1HSPB1GAA
SCHEMBL30431925 0.82 HSPB1 (0.51) KMT2AMEN1PABPC1HSPB1GAA
SCHEMBL55612 0.82 HSPB1 (0.51) KMT2AMEN1PABPC1HSPB1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11344637-B2 Probes for imaging huntingtin protein CHDI FOUNDATION, INC. (US) 2022-05-31 US disclosed
EP-3340796-B1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION INC (US) 2021-04-21 EP disclosed
CN-108135172-B Probes for imaging huntingtin CHDI基金会股份有限公司 2021-03-30 CN disclosed
US-20210060187-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION, INC. 2021-03-04 US disclosed
US-10765764-B2 Probes for imaging huntingtin protein CHDI FOUNDATION, INC. (US) 2020-09-08 US disclosed
US-20190167821-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION, INC. 2019-06-06 US disclosed
US-10137211-B2 Probes for imaging Huntingtin protein CHDI FOUNDATION, INC. (US) 2018-11-27 US disclosed
EP-3340796-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI Foundation, Inc. (US) 2018-07-04 EP disclosed
WO-2017040336-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION, INC. (US) 2017-03-09 WO disclosed
WO-2017040336-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION, INC. (US) 2017-03-09 WO disclosed
US-20130029962-A1 Substituted Heteroaromatic Pyrazole-Containing Carboxamide and Urea Compounds as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2013-01-31 US disclosed
US-20130029961-A1 Substituted Heterocyclic Aza Compounds GRUENENTHAL GMBH (DE) 2013-01-31 US disclosed
WO-2013013815-A1 SUBSTITUTED HETEROAROMATIC PYRAZOLE-CONTAINING CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2013-01-31 WO disclosed
US-20130029962-A1 Substituted Heteroaromatic Pyrazole-Containing Carboxamide and Urea Compounds as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2013-01-31 US disclosed
US-20130029961-A1 Substituted Heterocyclic Aza Compounds GRUENENTHAL GMBH (DE) 2013-01-31 US disclosed
US-20130029962-A1 Substituted Heteroaromatic Pyrazole-Containing Carboxamide and Urea Compounds as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2013-01-31 US disclosed
US-20130029961-A1 Substituted Heterocyclic Aza Compounds GRUENENTHAL GMBH (DE) 2013-01-31 US disclosed
US-20080306069-A1 Pyrazole Derivatives for the Inhibition of CDK'S and GSK'S ASTEX THERAPEUTICS LIMITED (UK) 2008-12-11 US disclosed
EP-1846395-A1 PYRAZOLE DERIVATIVES FOR THE INHIBITION OF CDK'S AND GSK'S Astex Therapeutics Limited (GB) 2007-10-24 EP disclosed
WO-2006077414-A1 PYRAZOLE DERIVATIVES FOR THE INHIBITION OF CDK' S AND GSK' S ASTEX THERAPEUTICS LIMITED (GB) 2006-07-27 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 (8 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-11344637-B2 Probes for imaging huntingtin protein HTT, HYPK, HSPBP1 KMT2A 3799/4885MEN1 907/4885PABPC1 405/4885
US-20210060187-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN HTT, HYPK, HSPBP1 KMT2A 3799/4885MEN1 907/4885PABPC1 405/4885
US-20080306069-A1 Pyrazole Derivatives for the Inhibition of CDK'S and GSK'S GSK3A, CDK11A, CDK1 KMT2A 108/4885MEN1 4051/4885PABPC1 3928/4885
US-20190167821-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN HTT, HYPK, HSPBP1 KMT2A 3799/4885MEN1 907/4885PABPC1 405/4885
US-10765764-B2 Probes for imaging huntingtin protein HTT, HYPK, HSPBP1 KMT2A 3799/4885MEN1 907/4885PABPC1 405/4885
US-20130029961-A1 Substituted Heterocyclic Aza Compounds TRPV1, GPR17, TRPV2 KMT2A 1008/4885MEN1 4525/4885PABPC1 2277/4885
US-10137211-B2 Probes for imaging Huntingtin protein HTT, HYPK, FABP7 KMT2A 3868/4885MEN1 1182/4885PABPC1 436/4885
US-20130029962-A1 Substituted Heteroaromatic Pyrazole-Containing Carboxamide and Urea Compounds as Vanilloid Receptor Ligands TRPV1, GPR17, TRPV3 KMT2A 3936/4885MEN1 4836/4885PABPC1 2748/4885

“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.