SCHEMBL1323845

SCHEMBL1323845

CNC(C)C(=O)Nc1ccc(-c2cccc(F)c2)n(Cc2cncc(C(=O)c3ccc(F)cc3)c2)c1=O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 4/20 0.37
GRIN2B Q13224 4/20 0.37
ELANE P08246 14/20 0.36
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
XIAP P98170 1/20 0.34
BIRC2 Q13490 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
SCHEMBL1323841 1.00 GRIN1 (0.37) GRIN1GRIN2BELANEUSP2LMNA
SCHEMBL12122072 1.00 GRIN1 (0.37) GRIN1GRIN2BELANEUSP2LMNA
SCHEMBL1323936 0.94 GRIN1 (0.37) GRIN1GRIN2BELANE
SCHEMBL12122043 0.94 ELANE (0.39) GRIN1GRIN2BELANEXIAP
SCHEMBL1324460 0.94 ELANE (0.39) GRIN1GRIN2BELANEXIAP
SCHEMBL1324439 0.94 ELANE (0.39) GRIN1GRIN2BELANEXIAP
SCHEMBL1323939 0.94 GRIN1 (0.37) GRIN1GRIN2BELANE
SCHEMBL12122044 0.94 GRIN1 (0.37) GRIN1GRIN2BELANE
SCHEMBL381046 0.94 ELANE (0.40) ELANEXIAPBIRC2
SCHEMBL381915 0.94 ELANE (0.40) ELANEXIAPBIRC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8058272-B2 Organic compounds NOVARTIS AG (CH) 2011-11-15 US claimed
US-20100048571-A1 Organic Compounds NOVARTIS AG 2010-02-25 US claimed
CN-101595093-A Organic compound NOVARTIS AG (CH) 2009-12-02 CN claimed
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

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 GRIN1 2799/4885GRIN2B 3107/4885ELANE 2481/4885

“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.