SCHEMBL20644665

SCHEMBL20644665

CC(C)c1ccc(-c2cn(C[C@@H](C)O)nn2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 1/20 0.55
NAMPT P43490 2/20 0.46
SRC P12931 2/20 0.43
MGAM O43451 6/20 0.42
GAA P10253 6/20 0.42
SI P14410 6/20 0.42
MGAM2 Q2M2H8 6/20 0.42
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
S1PR1 P21453 2/20 0.40
NR1H4 Q96RI1 1/20 0.40
CYP19A1 P11511 1/20 0.40
NEU4 Q8WWR8 1/20 0.39
NEU1 Q99519 1/20 0.39
NEU3 Q9UQ49 1/20 0.39
S1PR3 Q99500 1/20 0.39
ALOX5 P09917 1/20 0.39
MEN1 O00255 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
SCHEMBL15087738 0.84 CYP19A1 (0.57) NAMPTSRCMGAMGAASI
SCHEMBL28814269 0.78 ESRRG (0.77) ESRRGHSP90AA1HSP90AB1S1PR1CYP19A1
SCHEMBL28814333 0.77 ESRRG (0.71) ESRRGHSP90AA1HSP90AB1CYP19A1MEN1
SCHEMBL21026702 0.77 ESRRG (0.50) ESRRGNAMPTSRCNR1H4CYP19A1
SCHEMBL29050564 0.76 ALOX5 (0.51) ESRRGSRCKDM4ESMN1; SMN2HSP90AA1
SCHEMBL29050514 0.75 KDM4E (0.56) MGAMGAASIMGAM2KDM4E
SCHEMBL27983571 0.75 ESRRG (0.69) ESRRGHSP90AA1HSP90AB1CYP19A1MEN1
SCHEMBL18625945 0.75 ALOX5 (0.52) ESRRGNAMPTSRCMGAMGAA
SCHEMBL27984003 0.74 ESRRG (0.67) ESRRGHSP90AA1HSP90AB1CYP19A1MEN1
SCHEMBL23329321 0.74 ESRRG (0.46) ESRRGGAAKDM4ESMN1; SMN2S1PR1

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-10464922-B2 Metalloenzyme inhibitor compounds NQP 1598, LTD. (US) 2019-11-05 US disclosed
US-20190016700-A1 METALLOENZYME INHIBITOR COMPOUNDS NQP 1598, LTD. (KY) 2019-01-17 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-20190016700-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO ESRRG 1481/4885NAMPT 481/4885SRC 2574/4885
US-10464922-B2 Metalloenzyme inhibitor compounds MMEL1, GPX1, MPO ESRRG 1481/4885NAMPT 481/4885SRC 2574/4885

“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.