SCHEMBL380328

SCHEMBL380328

CN[C@@H](C)C(=O)Nc1ccc(-c2ccc(F)cc2)n(Cc2cncc(Oc3ccc(F)cc3)c2)c1=O

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 8/20 0.38
XDH P47989 1/20 0.36
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
BACE1 P56817 2/20 0.35
ELANE P08246 5/20 0.35
SCN9A Q15858 3/20 0.35
FPR2 P25090 1/20 0.34

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
SCHEMBL380488 1.00 P2RX3 (0.38) P2RX3XDHPRMT5WDR77BACE1
SCHEMBL381207 0.96 ELANE (0.40) P2RX3BACE1ELANE
SCHEMBL380513 0.96 ELANE (0.40) P2RX3BACE1ELANE
SCHEMBL1323907 0.89 P2RX3 (0.36) P2RX3
SCHEMBL1323904 0.89 P2RX3 (0.36) P2RX3
SCHEMBL3850357 0.88 MMP13 (0.41) BACE1ELANESCN9A
SCHEMBL3850352 0.88 MMP13 (0.41) BACE1ELANESCN9A
SCHEMBL2212589 0.87 P2RX3 (0.38) P2RX3XDHPRMT5WDR77SCN9A
SCHEMBL2211840 0.87 P2RX3 (0.38) P2RX3XDHPRMT5WDR77SCN9A
SCHEMBL2209718 0.87 ELANE (0.43) P2RX3ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2086938-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-01-25 EP claimed
US-20100048571-A1 Organic Compounds NOVARTIS AG 2010-02-25 US claimed
EP-2086938-A1 ORGANIC COMPOUNDS Novartis AG (CH) 2009-08-12 EP claimed
WO-2008073306-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2008-06-19 WO claimed
EP-2086938-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-01-25 EP disclosed
US-8058272-B2 Organic compounds NOVARTIS AG (CH) 2011-11-15 US disclosed
US-8058272-B2 Organic compounds NOVARTIS AG (CH) 2011-11-15 US disclosed
US-8058272-B2 Organic compounds NOVARTIS AG (CH) 2011-11-15 US disclosed
US-20100048571-A1 Organic Compounds NOVARTIS AG 2010-02-25 US disclosed
US-20100048571-A1 Organic Compounds NOVARTIS AG 2010-02-25 US disclosed
US-20100048571-A1 Organic Compounds NOVARTIS AG 2010-02-25 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 (1 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-20100048571-A1 Organic Compounds XIAP, BAX, MCL1 P2RX3 4244/4885XDH 643/4885PRMT5 1182/4885

“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.