SCHEMBL329531

SCHEMBL329531

[S]C1OOc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
ATM Q13315 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
KMT2A Q03164 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31

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
SCHEMBL3075879 0.77 MAOA (0.42) MAOAMAOBATMMEN1USP2
SCHEMBL446184 0.71 MAOA (0.38) MAOAMAOBATMHDAC3HDAC4
SCHEMBL8468871 0.71 MAOA (0.48) MAOAMAOBATMMEN1USP2
SCHEMBL3195757 0.71 MAOA (0.38) MAOAMAOBATMHDAC3HDAC4
SCHEMBL3205774 0.71 MAOA (0.38) MAOAMAOBATMMEN1KMT2A
SCHEMBL329445 0.71 MAOA (0.38) MAOAMAOBATMMEN1USP2
SCHEMBL6678434 0.71 MAOA (0.38) MAOAMAOBATMMEN1USP2
SCHEMBL10994314 0.70 MAOA (0.37) MAOAMAOBATM
SCHEMBL10666791 0.69 CYP2C9 (0.33) MAOAMAOBHDAC3HDAC4HDAC1
SCHEMBL5804260 0.68 MAOA (0.35) MAOAMAOBATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-4214200-A1 LANCL LIGANDS Nimmune Biopharma, Inc. (US) 2023-07-26 EP disclosed
CN-116368133-A NLRX1 ligand 朗多生物制药股份有限公司 2023-06-30 CN 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
EP-4118081-A1 PLXDC2 LIGANDS LANDOS BIOPHARMA, INC. (US) 2023-01-18 EP disclosed
US-7956082-B2 Indole derivative having PGD2 receptor antagonist activity SHIONOGI & CO., LTD (JP) 2011-06-07 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

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 MAOA 1973/4885MAOB 1738/4885ATM 4676/4885
US-20230128450-A1 NLRX1 LIGANDS NLRP3, NLRP1, NOD1 MAOA 3625/4885MAOB 4049/4885ATM 947/4885
US-20090105274-A1 Indolecarboxylic Acid Derivative Having PGD2 Receptor Antagonistic Activity PTGDR, CYSLTR1, CNR1 MAOA 987/4885MAOB 930/4885ATM 4617/4885
US-20090197881-A1 Azaindole Derivative Having PGD2 Receptor Antagonistic Activity PTGDR, HRH2, PTGDR2 MAOA 1491/4885MAOB 1420/4885ATM 4717/4885
US-20230167083-A1 LANCL LIGANDS LANCL2, LANCL1, LCLAT1 MAOA 4868/4885MAOB 4844/4885ATM 4540/4885
US-20230192652-A1 PLXDC2 LIGANDS PLP2, PDCD1LG2, LCP2 MAOA 4531/4885MAOB 4469/4885ATM 4610/4885
US-11597717-B2 Substituted imidazoles as PLXDC2 ligands PLK2, PLEC, PLP2 MAOA 2947/4885MAOB 2749/4885ATM 4295/4885
US-20090030014-A1 Indole Derivative Having Pgd2 Receptor Antagonist Activity HRH2, PTGDR, CNR2 MAOA 1401/4885MAOB 974/4885ATM 4613/4885

“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.