SCHEMBL4314830

SCHEMBL4314830

O=C(CCS)N1CCc2c([nH]c3ccccc23)C1

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPX4 P36969 1/20 0.73
HDAC6 Q9UBN7 3/20 0.69
HDAC1 Q13547 2/20 0.69
TAAR1 Q96RJ0 1/20 0.61
TRPV1 Q8NER1 8/20 0.60
FAAH O00519 2/20 0.60
ACE P12821 1/20 0.58
CDK4 P11802 3/20 0.57
CCND1 P24385 3/20 0.57

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
SCHEMBL20882095 0.85 GPX4 (0.77) GPX4HDAC6HDAC1TRPV1FAAH
SCHEMBL20018759 0.85 GPX4 (1.00) GPX4HDAC6HDAC1TAAR1TRPV1
SCHEMBL5556447 0.85 GPX4 (0.77) GPX4HDAC6HDAC1TAAR1TRPV1
SCHEMBL8320157 0.84 HDAC6 (0.74) GPX4HDAC6HDAC1TAAR1TRPV1
SCHEMBL18688569 0.83 HDAC6 (0.77) GPX4HDAC6HDAC1TAAR1TRPV1
SCHEMBL20817603 0.82 HDAC6 (0.76) GPX4HDAC6HDAC1TRPV1FAAH
SCHEMBL8252701 0.82 HDAC6 (1.00) GPX4HDAC6HDAC1TAAR1TRPV1
SCHEMBL30562026 0.82 GPX4 (0.65) GPX4HDAC6HDAC1TAAR1TRPV1
SCHEMBL28918979 0.82 GPX4 (0.68) GPX4HDAC6HDAC1TAAR1TRPV1
SCHEMBL969392 0.81 TRPV1 (0.72) GPX4HDAC6HDAC1TRPV1FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3681504-B1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ICAGEN INC (US) 2023-08-23 EP disclosed
US-11573224-B2 Methods of detection using X-ray fluorescence ICAGEN, LLC (US) 2023-02-07 US disclosed
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed
US-10877035-B2 Advanced drug development and manufacturing ICAGEN, LLC (US) 2020-12-29 US disclosed
US-20200278346-A1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ADJACENT ACQUISITION CO., LLC 2020-09-03 US disclosed
US-20190192691-A1 REGULATED BIOCIRCUIT SYSTEMS OBSIDIAN THERAPEUTICS, INC. 2019-06-27 US disclosed
US-20160361298-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER GLOBAVIR BIOSCIENCES, INC. 2016-12-15 US disclosed
WO-2016201354-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER GLOBAVIR BIOSCIENCES, INC. (US) 2016-12-15 WO disclosed
US-20150309021-A1 Advanced Drug Development and Manufacturing LOS ALAMOS NATIONAL SECURITY, LLC 2015-10-29 US disclosed
EP-2511844-B1 X-ray microscope XRPRO SCIENCES INC (US) 2015-08-12 EP disclosed
EP-2511844-A2 Advanced drug development and manufacturing Los Alamos National Security, LLC (US) 2012-10-17 EP disclosed
EP-2084519-B1 X-RAY FLUORESCENCE ANALYSIS METHOD LOS ALAMOS NAT SECURITY LLC (US) 2012-08-01 EP disclosed
EP-2084519-A2 ADVANCED DRUG DEVELOPMENT AND MANUFACTURING Los Alamos National Security, LLC (US) 2009-08-05 EP disclosed
WO-2008127291-A2 ADVANCED DRUG DEVELOPMENT AND MANUFACTURING LOS ALAMOS NATIONAL SECURITY, LLC (US) 2008-10-23 WO disclosed
US-20080220441-A1 Advanced drug development and manufacturing THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2008-09-11 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 (1 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-20160361298-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER IDO2, IDO1, TDO2 GPX4 324/4885HDAC6 25/4885HDAC1 46/4885

“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.