SCHEMBL1324469

SCHEMBL1324469

CN[C@@H](C)C(=O)Nc1cccn(Cc2cncc(C(=O)c3ccc(F)cc3)c2)c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.47
KDM4E B2RXH2 11/20 0.47
MEN1 O00255 7/20 0.47
KMT2A Q03164 7/20 0.47
NPSR1 Q6W5P4 1/20 0.47
PTGER3 P43115 8/20 0.45
HPGD P15428 2/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 4/20 0.44
XIAP P98170 1/20 0.44
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
RAB9A P51151 1/20 0.41
MAPK1 P28482 1/20 0.40
RECQL P46063 1/20 0.40
HTT P42858 1/20 0.39

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
SCHEMBL1324471 1.00 ALDH1A1 (0.47) ALDH1A1KDM4EMEN1KMT2ANPSR1
SCHEMBL2208916 0.89 MAP4K1 (0.38) ALDH1A1KDM4EMEN1KMT2ANPSR1
SCHEMBL2212460 0.89 MAP4K1 (0.38) ALDH1A1KDM4EMEN1KMT2ANPSR1
SCHEMBL2209975 0.86 NTRK1 (0.37) ALDH1A1KDM4EMEN1KMT2ANPSR1
SCHEMBL2209965 0.86 NTRK1 (0.37) ALDH1A1KDM4EMEN1KMT2ANPSR1
SCHEMBL3611030 0.84 CNR2 (0.35) SMN1; SMN2MAPTXIAPRAB9AHTT
SCHEMBL1323051 0.84 CNR2 (0.35) SMN1; SMN2MAPTXIAPRAB9AHTT
SCHEMBL12124006 0.83 BIRC2 (0.35) ALDH1A1KDM4EMEN1KMT2ANPSR1
SCHEMBL12122067 0.83 ELANE (0.35)
SCHEMBL380277 0.83 ELANE (0.35)

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-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 ALDH1A1 2759/4885KDM4E 3048/4885MEN1 3257/4885

“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.