SCHEMBL329917

SCHEMBL329917

O=S(=O)(O)c1cccc2ncc3ccccc3c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
GPR3 P46089 1/20 0.49
SNCA P37840 2/20 0.43
CHAT P28329 1/20 0.43
TTR P02766 2/20 0.43
FABP4 P15090 1/20 0.43
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
MAPK14 Q16539 1/20 0.43
NR4A1 P22736 1/20 0.42
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
CYP1A2 P05177 3/20 0.38
HTT P42858 1/20 0.38
ERN1 O75460 1/20 0.37
HPGD P15428 1/20 0.37
HIF1A Q16665 1/20 0.37
F2 P00734 1/20 0.36
PRSS1 P07477 1/20 0.36

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
SCHEMBL329916 0.86 KDM4E (0.50) KDM4EGPR3CA1CA2CA9
SCHEMBL27636764 0.86 CA2 (0.56) KDM4EGPR3CDK2CA1CA2
SCHEMBL9780253 0.84 KDM4E (0.49) KDM4EGPR3CA1CA2CA9
SCHEMBL30857515 0.78 KDM4E (0.61) KDM4EGPR3CYP1A2HPGDHIF1A
Phenanthridine SCHEMBL27311472 0.78 KDM4E (0.57) KDM4EGPR3CYP1A2HTTERN1
Benzene SCHEMBL12471481 0.76 ALDH1A1 (0.51) KDM4EGPR3CA1CA2CA9
Phenanthridine SCHEMBL8316254 0.76 KDM4E (0.77) KDM4EGPR3CYP1A2HTTERN1
SCHEMBL15851413 0.76 TTR (0.54) SNCACHATTTRFABP4CCNA2
SCHEMBL329543 0.75 KDM4E (0.57) KDM4EGPR3CYP1A2HTTERN1
SCHEMBL241588 0.75 KDM4E (0.57) KDM4EGPR3SNCACYP1A2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4366733-A1 TETRAHYDROPYRAZOLOPYRIDINE-ANALOG LIGANDS OF NLRX1 AND USES THEREOF LANDOS BIOPHARMA, INC. (US) 2024-05-15 EP disclosed
EP-3927427-B1 LANTHIONINE C-LIKE PROTEIN 2 LIGANDS, CELLS PREPARED THEREWITH, AND THERAPIES USING SAME NIMMUNE BIOPHARMA INC (US) 2024-02-07 EP disclosed
US-20230357744-A1 ENGINEERED TRYPTOPHAN DECARBOXYLASES AND USES THEREOF FOR SYNTHESIZING TRYPTAMINE ANALOGS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2023-11-09 US disclosed
EP-4225315-A2 COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATING INFLAMMATORY OR IMMUNE-MEDIATED CONDITIONS OF SURFACE TISSUES Nimmune Biopharma, Inc. (US) 2023-08-16 EP disclosed
EP-4214200-A1 LANCL LIGANDS Nimmune Biopharma, Inc. (US) 2023-07-26 EP disclosed
US-20230192652-A1 PLXDC2 LIGANDS LANDOS BIOPHARMA, INC. (US) 2023-06-22 US disclosed
EP-4196475-A1 NLRX1 LIGANDS LANDOS BIOPHARMA, INC. (US) 2023-06-21 EP disclosed
US-20230167083-A1 LANCL LIGANDS LANDOS BIOPHARMA, INC. (US) 2023-06-01 US disclosed
US-20230128450-A1 NLRX1 LIGANDS LANDOS BIOPHARMA, INC. (US) 2023-04-27 US disclosed
US-11597717-B2 Substituted imidazoles as PLXDC2 ligands LANDOS BIOPHARMA, INC. (US) 2023-03-07 US disclosed
US-20110028717-A1 AZAINDOLE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY KUGIMIYA AKIRA 2011-02-03 US disclosed
US-7842692-B2 Azaindole derivative having PGD2 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2010-11-30 US disclosed
US-20090197881-A1 Azaindole Derivative Having PGD2 Receptor Antagonistic Activity SHIONOGI & CO., LTD. (JP) 2009-08-06 US disclosed
US-20090105274-A1 Indolecarboxylic Acid Derivative Having PGD2 Receptor Antagonistic Activity SHIONOGI & CO., LTD. (JP) 2009-04-23 US disclosed
US-20090030014-A1 Indole Derivative Having Pgd2 Receptor Antagonist Activity SHIONOGI & CO., LTD. (JP) 2009-01-29 US disclosed
EP-1939175-A1 SULFONAMIDE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY Shionogi&Co., Ltd. (JP) 2008-07-02 EP disclosed
EP-1932839-A1 INDOLECARBOXYLIC ACID DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY Shionogi Co., Ltd. (JP) 2008-06-18 EP disclosed
EP-1916245-A1 INDOLE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONIST ACTIVITY Shionogi Co., Ltd. (JP) 2008-04-30 EP disclosed
EP-1911759-A1 AZAINDOLE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY Shionogi Co., Ltd. (JP) 2008-04-16 EP disclosed
US-5030631-A Hypotensive, bronchodilator agents SCHERING CORPORATION (US) 1991-07-09 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 (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-20110028717-A1 AZAINDOLE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY PTGDR, HRH2, PTGDR2 KDM4E 1882/4885GPR3 18/4885SNCA 4833/4885
US-20230128450-A1 NLRX1 LIGANDS NLRP3, NLRP1, NOD1 KDM4E 4410/4885GPR3 217/4885SNCA 800/4885
US-20090105274-A1 Indolecarboxylic Acid Derivative Having PGD2 Receptor Antagonistic Activity PTGDR, CYSLTR1, CNR1 KDM4E 2143/4885GPR3 35/4885SNCA 4701/4885
US-20090197881-A1 Azaindole Derivative Having PGD2 Receptor Antagonistic Activity PTGDR, HRH2, PTGDR2 KDM4E 1732/4885GPR3 18/4885SNCA 4813/4885
US-20230167083-A1 LANCL LIGANDS LANCL2, LANCL1, LCLAT1 KDM4E 3554/4885GPR3 1079/4885SNCA 4784/4885
US-20230192652-A1 PLXDC2 LIGANDS PLP2, PDCD1LG2, LCP2 KDM4E 3914/4885GPR3 1272/4885SNCA 2565/4885
US-11597717-B2 Substituted imidazoles as PLXDC2 ligands PLK2, PLEC, PLP2 KDM4E 2042/4885GPR3 2228/4885SNCA 2482/4885
US-20090030014-A1 Indole Derivative Having Pgd2 Receptor Antagonist Activity HRH2, PTGDR, CNR2 KDM4E 2680/4885GPR3 33/4885SNCA 4566/4885

“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.