SCHEMBL3461956

SCHEMBL3461956

Cc1cc(C)c(S(=O)(=O)[O-])c(C)c1.Nc1ccc[n+](N)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAPGEF4 Q8WZA2 8/20 0.39
▸ F2 P00734 3/20 0.34
▸ PRSS1 P07477 3/20 0.34
▸ PRSS2 P07478 3/20 0.34
▸ PRSS3 P35030 3/20 0.34
▸ TDP1 Q9NUW8 4/20 0.33
▸ MAPT P10636 3/20 0.33
▸ NPSR1 Q6W5P4 3/20 0.33
▸ L3MBTL1 Q9Y468 3/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ POLB P06746 3/20 0.33
▸ NSD2 O96028 2/20 0.33
▸ THRB P10828 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ RECQL P46063 2/20 0.33
▸ P2RY1 P47900 2/20 0.33

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
SCHEMBL5384451 0.88 RAPGEF4 (0.41) RAPGEF4F2PRSS1PRSS2PRSS3
SCHEMBL5230082 0.84 RAPGEF4 (0.45) RAPGEF4F2PRSS1PRSS2PRSS3
SCHEMBL1290843 0.84 RAPGEF4 (0.38) RAPGEF4F2PRSS1PRSS2PRSS3
SCHEMBL2968699 0.84 RAPGEF4 (0.38) RAPGEF4F2PRSS1PRSS2PRSS3
SCHEMBL29489025 0.84 RAPGEF4 (0.38) RAPGEF4F2PRSS1PRSS2PRSS3
SCHEMBL5234362 0.83 LMNA (0.41) RAPGEF4TDP1MAPTNPSR1L3MBTL1
SCHEMBL5232754 0.83 RAPGEF4 (0.41) RAPGEF4F2PRSS1PRSS2PRSS3
SCHEMBL1694111 0.83 RAPGEF4 (0.41) RAPGEF4F2PRSS1PRSS2PRSS3
SCHEMBL31131624 0.82 RAPGEF4 (0.48) RAPGEF4F2PRSS1PRSS2PRSS3
SCHEMBL3541889 0.82 RAPGEF4 (0.48) RAPGEF4F2PRSS1PRSS2PRSS3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140038955-A1 HETEROARYL AMIDE ANALOGUES AS P2X7 ANTAGONISTS H. LUNDBECK A/S (DK) 2014-02-06 — — US disclosed
US-8580812-B2 Heteroaryl amide analogues as P2X7 antagonists H. LUNDBECK A/S (DK) 2013-11-12 — — US disclosed
EP-2592082-A1 Heteroaryl amide analogues as p2x7 antagonists H. Lundbeck A/S (DK) 2013-05-15 — — EP disclosed
US-20100266509-A1 HETEROARYL AMIDE ANALOGUES AS P2X7 ANTAGONISTS H. Lindbeck A/S (DK) 2010-10-21 — — 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 (2 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-20100266509-A1 HETEROARYL AMIDE ANALOGUES AS P2X7 ANTAGONISTS P2RX7, P2RX3, P2RX2 RAPGEF4 1759/4885F2 3618/4885PRSS1 3494/4885
US-20140038955-A1 HETEROARYL AMIDE ANALOGUES AS P2X7 ANTAGONISTS P2RX7, P2RX3, P2RX2 RAPGEF4 1722/4885F2 3743/4885PRSS1 3616/4885

“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.

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