SCHEMBL339442

SCHEMBL339442

CC(C)(C)OC(=O)NCc1cc2nccn2cc1Br

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 11/20 0.40
SUV39H2 Q9H5I1 2/20 0.39
BRD4 O60885 1/20 0.39
RORC P51449 1/20 0.38
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
KDM4A O75164 1/20 0.36

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
SCHEMBL337909 0.78 IDO1 (0.41) NAMPTSUV39H2BRD4KDM4E
SCHEMBL20157285 0.74 HDAC10 (0.40) NAMPTSUV39H2CA12CA1CA2
SCHEMBL29639462 0.74 KDM4A (0.40) NAMPTCA12CA1CA2CA9
SCHEMBL19794769 0.74 KDM4A (0.40) NAMPTCA12CA1CA2CA9
SCHEMBL1913154 0.74 KEAP1 (0.38)
SCHEMBL338299 0.73 PIK3CD (0.38) SUV39H2BRD4CA12CA1CA2
SCHEMBL339297 0.73 SUV39H2 (0.36) NAMPTSUV39H2BRD4CA12CA1
SCHEMBL31212075 0.72 KEAP1 (0.31)
SCHEMBL337994 0.72 KDM4A (0.39) NAMPTCA12CA1CA2CA9
SCHEMBL24529370 0.71 KEAP1 (0.38) NAMPTSUV39H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077787-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-03-29 US disclosed
US-20120077787-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-03-29 US disclosed
US-8097617-B2 Organic compounds NOVARTIS AG (CH) 2012-01-17 US disclosed
US-8097617-B2 Organic compounds NOVARTIS AG (CH) 2012-01-17 US disclosed
US-8097617-B2 Organic compounds NOVARTIS AG (CH) 2012-01-17 US disclosed
US-20090253689-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-08 US disclosed
US-20090253689-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-08 US disclosed
US-20090253689-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-08 US disclosed
WO-2007113226-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2007-10-11 WO 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-20120077787-A1 ORGANIC COMPOUNDS OAT, GPR119, OTC NAMPT 1354/4885SUV39H2 3686/4885BRD4 1812/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC NAMPT 1354/4885SUV39H2 3686/4885BRD4 1812/4885

“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.