SCHEMBL5539196

SCHEMBL5539196

c1ccc(CNC2CC(NCc3ccccn3)CC(NCc3ccccn3)C2)nc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.61
MAOB P27338 4/20 0.61
KDM1A O60341 2/20 0.61
SMN1; SMN2 Q16637 1/20 0.50
CHRM2 P08172 2/20 0.49
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
P2RX7 Q99572 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
CHRM4 P08173 1/20 0.44
CHRM5 P08912 1/20 0.44
DRD2 P14416 1/20 0.44
CHRM3 P20309 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HPGD P15428 1/20 0.44
RECQL P46063 1/20 0.44

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
SCHEMBL1732541 1.00 MAOA (0.61) MAOAMAOBKDM1ASMN1; SMN2CHRM2
SCHEMBL29785655 1.00 MAOA (0.61) MAOAMAOBKDM1ASMN1; SMN2CHRM2
SCHEMBL801282 0.90 MAOA (0.52) MAOAMAOBKDM1ASMN1; SMN2CHRM2
SCHEMBL13280435 0.90 MAOA (0.55) MAOAMAOBKDM1ASMN1; SMN2CHRM2
SCHEMBL662711 0.89 MAOA (0.57) MAOAMAOBKDM1ASMN1; SMN2CHRM2
Hydrochloric Acid SCHEMBL4799055 0.87 MAOA (0.55) MAOAMAOBKDM1ASMN1; SMN2CHRM2
SCHEMBL31706160 0.85 MAOA (0.54) MAOAMAOBKDM1ASMN1; SMN2CHRM2
SCHEMBL14862724 0.85 MAOA (0.54) MAOAMAOBKDM1ASMN1; SMN2CHRM2
SCHEMBL5863593 0.84 HPGD (0.55) MAOAMAOBKDM1ASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL16464069 0.84 MAOA (0.53) MAOAMAOBKDM1ASMN1; SMN2CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12111313-B2 Chelator-coated field effect transistor and devices and methods using same Autonomous Medical Devices Inc. (US) 2024-10-08 US claimed
US-20180199577-A1 COMPOSITIONS FOR CONTROL OF HEMIPTERAN INSECT STYLET SHEATH STRUCTURE FORMATION THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE 2018-07-19 US claimed
US-9949489-B2 Methods for control of hemipteran insect stylet sheath structure formation THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 2018-04-24 US claimed
US-20160316762-A1 COMPOSITIONS AND METHODS FOR CONTROL OF HEMIPTERAN INSECT STYLET SHEATH STRUCTURE FORMATION THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE 2016-11-03 US claimed
WO-2007101284-A1 REDOX FLOW BATTERY AND ELECTROLYTE SOLUTION FOR A EINE REDOX FLOW BATTERY FUNKTIONSWERKSTOFFE FORSCHUNGS-UND ENTWICKLUNGS GMBH (AT) 2007-09-13 WO claimed
US-20260083865-A1 PROSTATE SPECIFIC MEMBRANE ANTIGEN (PSMA) LIGANDS AND USE THEREOF 3B PHARMACEUTICALS GMBH (DE) 2026-03-26 US disclosed
EP-4610269-A1 UROKINASE PLASMINOGEN ACTIVATOR SURFACE RECEPTOR (UPAR) LIGANDS FOR DIAGNOSTIC OR THERAPEUTIC USE 3B Pharmaceuticals GmbH (DE) 2025-09-03 EP disclosed
EP-4455159-A1 GASTRIC INHIBITORY PEPTIDE RECEPTOR LIGANDS WITH BIO-DISTRIBUTION MODIFIER 3B Pharmaceuticals GmbH (DE) 2024-10-30 EP disclosed
US-12111313-B2 Chelator-coated field effect transistor and devices and methods using same Autonomous Medical Devices Inc. (US) 2024-10-08 US disclosed
US-11820973-B2 Methods and system for interfering with viability of bacteria and related compounds and compositions CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2023-11-21 US disclosed
WO-2022169634-A9 COMBINATION THERAPY FOR THE TREATMENT OF CANCER UNM RAINFOREST INNOVATIONS (US) 2022-09-22 WO disclosed
WO-2022169634-A1 COMBINATION THERAPY FOR THE TREATMENT OF CANCER UNM RAINFOREST INNOVATIONS (US) 2022-08-11 WO disclosed
US-20160199437-A1 THERAPEUTIC COMPOSITIONS INCLUDING IRON CHELATORS AND USES THEREOF STEALTH BIOTHERAPEUTICS CORP (MC) 2016-07-14 US disclosed
US-20160199437-A1 THERAPEUTIC COMPOSITIONS INCLUDING IRON CHELATORS AND USES THEREOF STEALTH BIOTHERAPEUTICS CORP (MC) 2016-07-14 US disclosed
US-20160058843-A1 METHODS AND SYSTEM FOR INTERFERING WITH VIABILITY OF BACTERIA AND RELATED COMPOUNDS AND COMPOSITIONS TRUSTEES OF DARTMOUTH COLLEGE 2016-03-03 US disclosed
EP-2702141-A2 METHODS AND SYSTEM FOR INTERFERING WITH VIABILITY OF BACTERIA AND RELATED COMPOUNDS AND COMPOSITIONS California Institute of Technology (US) 2014-03-05 EP disclosed
US-20130022578-A1 METHODS AND SYSTEM FOR INTERFERING WITH VIABILITY OF BACTERIA AND RELATED COMPOUNDS AND COMPOSITIONS CALIFORNIA INSTITUTE OF TECHNOLOGY 2013-01-24 US disclosed
WO-2012149058-A2 METHODS AND SYSTEM FOR INTERFERING WITH VIABILITY OF BACTERIA AND RELATED COMPOUNDS AND COMPOSITIONS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2012-11-01 WO disclosed
WO-2007101284-A1 REDOX FLOW BATTERY AND ELECTROLYTE SOLUTION FOR A EINE REDOX FLOW BATTERY FUNKTIONSWERKSTOFFE FORSCHUNGS-UND ENTWICKLUNGS GMBH (AT) 2007-09-13 WO disclosed
US-20050063903-A1 cruciferous-related indole particulary diindolylmethanes, zinc/iron chelator, and optionally one or more of a zinc-binding histone deacetylase inhibitor, gallium or an EGFR antagonist, are administered simultaneously BIORESPONSE L.L.C. 2005-03-24 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 (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-20260083865-A1 PROSTATE SPECIFIC MEMBRANE ANTIGEN (PSMA) LIGANDS AND USE THEREOF KLK3, FOLH1, PSMA1 MAOA 1400/4885MAOB 3144/4885KDM1A 1694/4885
US-20160058843-A1 METHODS AND SYSTEM FOR INTERFERING WITH VIABILITY OF BACTERIA AND RELATED COMPOUNDS AND COMPOSITIONS MRPL21, BAX, SPOUT1 MAOA 1794/4885MAOB 852/4885KDM1A 4547/4885
US-20130022578-A1 METHODS AND SYSTEM FOR INTERFERING WITH VIABILITY OF BACTERIA AND RELATED COMPOUNDS AND COMPOSITIONS MRPL21, BAX, SPOUT1 MAOA 1794/4885MAOB 852/4885KDM1A 4547/4885
US-20160199437-A1 THERAPEUTIC COMPOSITIONS INCLUDING IRON CHELATORS AND USES THEREOF HAMP, SLC40A1, ARG2 MAOA 1276/4885MAOB 1399/4885KDM1A 1335/4885
US-20050063903-A1 cruciferous-related indole particulary diindolylmethanes, zinc/iron chelator, and optionally one or more of a zinc-binding histone deacetylase inhibitor, gallium or an EGFR antagonist, are administered simultaneously EZH2, EGFR, ZKSCAN2 MAOA 916/4885MAOB 1709/4885KDM1A 628/4885

“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.