SCHEMBL2552908

SCHEMBL2552908

NNC(=O)c1cccc(Cl)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.62
ALDH1A1 P00352 4/20 0.51
GAA P10253 3/20 0.51
MAPT P10636 3/20 0.51
CTSA P10619 3/20 0.50
POLB P06746 2/20 0.47
HPGD P15428 1/20 0.44
AGTR1 P30556 1/20 0.44
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
OPRK1 P41145 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL1142172 0.86 P2RX7 (0.74) P2RX7ALDH1A1GAAMAPTPOLB
SCHEMBL3503784 0.81 MAOB (0.56) P2RX7ALDH1A1GAAMAPTCTSA
SCHEMBL18824644 0.81 BRD4 (0.54) P2RX7ALDH1A1GAAMAPTCTSA
SCHEMBL12468996 0.80 CTSA (0.48) P2RX7ALDH1A1GAAMAPTCTSA
Hydrochloric Acid SCHEMBL10714566 0.80 MAOB (0.55) P2RX7ALDH1A1GAAMAPTCTSA
SCHEMBL306065 0.80 CTSA (0.45) P2RX7ALDH1A1GAAMAPTCTSA
SCHEMBL15143871 0.78 P2RX7 (0.65) P2RX7ALDH1A1GAAMAPTPOLB
SCHEMBL29977651 0.78 KDM4E (0.68) P2RX7ALDH1A1GAAMAPTPOLB
SCHEMBL26607908 0.78 KDM4E (0.68) P2RX7ALDH1A1GAAMAPTPOLB
SCHEMBL14844461 0.78 P2RX7 (0.65) P2RX7ALDH1A1GAAMAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4701635-A1 1,2,4-TRIAZOLE-3-THIONE INHIBITORS OF TREX2 FOR USE IN THE TREATMENT OF PSORIASIS, ATOPIC DERMATITIS OR ICHTHYOSIS Universitat De Barcelona (ES) 2026-03-04 EP disclosed
WO-2024223907-A1 1,2,4-TRIAZOLE-3-THIONE INHIBITORS OF TREX2 FOR USE IN THE TREATMENT OF PSORIASIS, ATOPIC DERMATITIS OR ICHTHYOSIS UNIVERSITAT DE BARCELONA (ES) 2024-10-31 WO disclosed
CN-113121426-B Synthesis method of myrtenal aldehyde group dihydrazide compounds with fungal inhibition activity 广西大学 2023-01-06 CN disclosed
WO-2022040157-A1 BORON CONTAINING COMPOUNDS AND THEIR USES 5METIS, INC. (US) 2022-02-24 WO disclosed
WO-2022040157-A1 BORON CONTAINING COMPOUNDS AND THEIR USES 5METIS, INC. (US) 2022-02-24 WO disclosed
WO-2022035763-A1 BORON CONTAINING COMPOUNDS AND THEIR USES 5METIS, INC. (US) 2022-02-17 WO disclosed
EP-3300500-B9 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2021-01-13 EP disclosed
US-20200125564-A1 NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS OGEDA SA (BE) 2020-04-23 US disclosed
EP-3300500-B1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2020-02-26 EP disclosed
US-10544150-B2 NK-3 receptor selective antagonist compounds, pharmaceutical composition and methods for use in NK-3 receptors mediated disorders OGEDA SA (BE) 2020-01-28 US disclosed
US-20150315199-A1 NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS OGEDA SA (BE) 2015-11-05 US disclosed
US-20140371218-A1 NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS OGEDA SA (BE) 2014-12-18 US disclosed
US-8871761-B2 NK-3 receptor selective antagonist compounds, pharmaceutical composition and methods for use in NK-3 receptors mediated disorders EUROSCREEN S.A. (BE) 2014-10-28 US disclosed
EP-2552920-A1 NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS Euroscreen S.A. (BE) 2013-02-06 EP disclosed
US-20130023530-A1 NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS EUROSCREEN S.A. (BE) 2013-01-24 US disclosed
WO-2011121137-A1 NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS EUROSCREEN S.A. (BE) 2011-10-06 WO disclosed
US-20090170907-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-07-02 US disclosed
EP-1888512-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-20 EP disclosed
WO-2006133216-A2 4-SUBSTITUTED ARYLAMINE DERIVATIVES AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS SMITHKLINE BEECHAM CORPORATION (US) 2006-12-14 WO disclosed
US-5750470-A Herbicidal 2,6-disubstituted pyridine compounds and compositions NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-05-12 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-20140371218-A1 NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS ACKR3, BDKRB2, GPR3 P2RX7 217/4885ALDH1A1 3636/4885GAA 1377/4885
US-20150315199-A1 NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS ACKR3, BDKRB2, GPR3 P2RX7 217/4885ALDH1A1 3636/4885GAA 1377/4885
US-20130023530-A1 NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS ACKR3, BDKRB2, GPR3 P2RX7 217/4885ALDH1A1 3636/4885GAA 1377/4885
US-20090170907-A1 Chemical Compounds NR3C2, NR5A1, NR3C1 P2RX7 2571/4885ALDH1A1 1164/4885GAA 4835/4885
US-10544150-B2 NK-3 receptor selective antagonist compounds, pharmaceutical composition and methods for use in NK-3 receptors mediated disorders BDKRB2, ACKR3, KLRK1 P2RX7 204/4885ALDH1A1 3468/4885GAA 1199/4885

“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.