SCHEMBL482085

SCHEMBL482085

O=C(O)c1nc2cc(Br)ccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 2/20 0.53
EGLN1 Q9GZT9 3/20 0.50
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MMP13 P45452 1/20 0.46
RHEB Q15382 1/20 0.42
PRNP P04156 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PPARG P37231 1/20 0.41
HIF1A Q16665 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
NR2E3 Q9Y5X4 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
MAPT P10636 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
SCHEMBL3644545 0.86 PIN1 (0.66) PIN1EGLN1MMP2MMP9MMP8
SCHEMBL22479066 0.85 EGLN1 (0.46) PIN1EGLN1MMP2MMP9MMP8
SCHEMBL13748011 0.81 MMP2 (0.50) EGLN1MMP2MMP9MMP8MMP13
SCHEMBL13747392 0.81 EGLN1 (0.56) EGLN1CYP1A2CYP2C19KDM4EMAPT
SCHEMBL4811045 0.81 PIN1 (0.54) PIN1RHEBKDM4EMAPT
SCHEMBL30912965 0.79 EGLN1 (0.51) EGLN1MMP2MMP9MMP8MMP13
SCHEMBL4305878 0.79 EGLN1 (0.81) EGLN1KDM4EGLAMAPTL3MBTL1
SCHEMBL29086858 0.79 EGLN1 (0.51) EGLN1MMP2MMP9MMP8MMP13
SCHEMBL4399173 0.79 PIN1 (0.53) PIN1RHEBCYP2C9CYP2C19HIF1A
SCHEMBL523253 0.79 RHEB (0.54) PIN1RHEBCYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012175823-A1 NOVEL HYBRID ORGANIC/INORGANIC IM-22 SOLID, AND USE THEREOF IN THE SEPARATION OF MULTI-BRANCHED PARAFFINS FROM LINEAR AND SINGLE-BRANCHED PARAFFINS IFP Energies Nouvelles (FR) 2012-12-27 WO claimed
EP-2167077-A2 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR Bayer Schering Pharma Aktiengesellschaft (DE) 2010-03-31 EP claimed
US-20090023741-A1 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AG (DE) 2009-01-22 US claimed
WO-2008152099-A2 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-18 WO claimed
CN-117285439-A Phenylalanine amide derivatives as beta 2 Use of allosteric antagonists of adrenergic receptors 常州大学 2023-12-26 CN disclosed
CN-110467611-B Iminothiadiazine dioxide derivatives and their use 广东东阳光药业有限公司 2022-09-27 CN disclosed
US-11180459-B2 Bacterial efflux pump inhibitors RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2021-11-23 US disclosed
WO-2021195603-A1 ANTI-MALARIAL COMPOUNDS AND USES THEREOF VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY (US) 2021-09-30 WO disclosed
WO-2020205467-A1 STAT3 PROTEIN DEGRADERS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2020-10-08 WO disclosed
WO-2020198435-A1 SMALL MOLECULE DEGRADERS OF STAT3 THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2020-10-01 WO disclosed
US-10767027-B1 Magnetically-recoverable catalysts for depolymerization NATIONAL TECHNOLOGY & ENGINEERING SOLUTIONS OF SANDIA, LLC (US) 2020-09-08 US disclosed
US-20200140393-A1 BACTERIAL EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERISTY OF NEW JERSEY (US) 2020-05-07 US disclosed
US-20090023724-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC 2009-01-22 US disclosed
WO-2008152099-A2 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-18 WO disclosed
WO-2008051493-A2 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND THEIR USE AS PROTEIN KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2008-05-02 WO disclosed
WO-2007141517-A1 BENZIMIDAZOLES AND THEIR USE FOR THE TREATEMNT OF DIABETES ASTRAZENECA AB (SE) 2007-12-13 WO disclosed
US-5874501-A POLY(P-HYDROXYSTYRENE) WITH AROMATIC MOIETY AND ALIPHATIC MOIETY WITH INORGANIC OXIDE KEEHAN DONALD J (US) 1999-02-23 US disclosed
EP-0407554-B1 METALLIC OXIDE-OXIRANE POLYMERS AND PREPOLYMERS KEEHAN DONALD J (US) 1997-09-17 EP disclosed
WO-1997031047-A1 MULTI-FUNCTIONAL OXIRANE POLYMERS KEEHAN DONALD J (US) 1997-08-28 WO disclosed
US-5658996-A A LIQUID POLYEPOXIDE PREPOLYMER THE REACTION PRODUCT OF A TRISHYDROXYPHENYL, AN AROMATIC DIGLYCIDYL ETHER AND METAL OXIDE; CURABLE, LOW VISCOSITY; FORMED POLYEPOXIDE IS HEAT AND CHEMICAL RESISTANCE, ELONGATION, TOUGHNESS KEEHAN DONALD J (US) 1997-08-19 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 (4 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-11180459-B2 Bacterial efflux pump inhibitors ABCB11, ABCB1, SLC47A1 PIN1 1405/4885EGLN1 2039/4885MMP2 820/4885
US-20200140393-A1 BACTERIAL EFFLUX PUMP INHIBITORS ABCB11, ABCB1, SLC47A1 PIN1 1405/4885EGLN1 2039/4885MMP2 820/4885
US-20090023741-A1 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR PTGER2, PTGER1, PTGDR2 PIN1 2950/4885EGLN1 1132/4885MMP2 4205/4885
US-20090023724-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith JAK2, PHKG1, PHKG2 PIN1 2730/4885EGLN1 773/4885MMP2 2203/4885

“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.