SCHEMBL21140934

SCHEMBL21140934

CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccncc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.74
CYP17A1 P05093 2/20 0.66
KDM4E B2RXH2 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
GAA P10253 1/20 0.60
KMT2A Q03164 3/20 0.56
NT5E P21589 1/20 0.56
LMNA P02545 3/20 0.56
JAK2 O60674 1/20 0.55
TYK2 P29597 1/20 0.55
POLB P06746 2/20 0.55
MAPT P10636 1/20 0.55
STAT3 P40763 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MAPK1 P28482 2/20 0.54
ALDH1A1 P00352 2/20 0.54
ROCK2 O75116 2/20 0.54
ROCK1 Q13464 2/20 0.54
TP53 P04637 1/20 0.54
MEN1 O00255 1/20 0.52

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
SCHEMBL6815524 0.95 NAMPT (0.71) NAMPTCYP17A1KDM4EL3MBTL1GAA
SCHEMBL21661749 0.91 NAMPT (0.72) NAMPTCYP17A1KMT2ALMNAPOLB
SCHEMBL334709 0.89 CYP17A1 (0.68) NAMPTCYP17A1KDM4EL3MBTL1POLB
SCHEMBL24003848 0.88 NAMPT (0.66) NAMPTCYP17A1KDM4EL3MBTL1GAA
SCHEMBL24004009 0.87 NAMPT (0.65) NAMPTCYP17A1KDM4EL3MBTL1NT5E
SCHEMBL8770870 0.86 NAMPT (0.67) NAMPTCYP17A1KMT2ALMNAPOLB
SCHEMBL8773493 0.86 NAMPT (0.67) NAMPTCYP17A1KMT2APOLBMAPT
SCHEMBL22461360 0.85 NAMPT (0.65) NAMPTCYP17A1KMT2AMAPTSMN1; SMN2
SCHEMBL22461618 0.85 NAMPT (0.65) NAMPTCYP17A1KMT2AMAPTSMN1; SMN2
SCHEMBL17526122 0.85 NAMPT (0.73) NAMPTKDM4EKMT2ALMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10723724-B2 Compounds for treating degenerative diseases of central nervous system or brain tumor, and uses thereof SUN YAT-SEN UNIVERSITY (CN) 2020-07-28 US disclosed
US-20190202817-A1 COMPOUNDS FOR TREATING DEGENERATIVE DISEASES OF CENTRAL NERVOUS SYSTEM OR BRAIN TUMOR, AND USES THEREOF SUN YAT-SEN UNIVERSITY (CN) 2019-07-04 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-20190202817-A1 COMPOUNDS FOR TREATING DEGENERATIVE DISEASES OF CENTRAL NERVOUS SYSTEM OR BRAIN TUMOR, AND USES THEREOF SGK1, SGK3, SGK2 NAMPT 1724/4885CYP17A1 1429/4885KDM4E 3951/4885
US-10723724-B2 Compounds for treating degenerative diseases of central nervous system or brain tumor, and uses thereof SGK1, SGK3, SGK2 NAMPT 1724/4885CYP17A1 1429/4885KDM4E 3951/4885

“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.