SCHEMBL13750010

SCHEMBL13750010

CC/C=C/c1cnc2ncn(C)c2c1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL1104631 0.80 MAOB (0.37) HDAC1HDAC8KDM4ENPC1RAB9A
SCHEMBL23677943 0.79 HDAC1 (0.35) HDAC1HDAC8KDM4ELMNA
SCHEMBL13749316 0.75 GRM5 (0.42) HDAC1HDAC8
SCHEMBL14294456 0.73 NPC1 (0.43) KDM4ENPC1LMNAGAAHPGD
SCHEMBL7916582 0.70 HRH4 (0.38) KDM4ENPC1LMNAGAAHPGD
SCHEMBL6125859 0.68 DYRK1A (0.37) GAAHSD17B10
SCHEMBL1104630 0.68 MET (0.46) HDAC1HDAC8HTTSMN1; SMN2HSD17B10
SCHEMBL31221748 0.68 MET (0.46) HDAC1HDAC8HTTSMN1; SMN2HSD17B10
SCHEMBL13749777 0.68 CHRNB2 (0.31)
SCHEMBL14268920 0.66 MAPT (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090209547-A1 C-8 HALOGENATED MACROLIDES ENANTA PHARMACEUTICALS, INC. 2009-08-20 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-20090209547-A1 C-8 HALOGENATED MACROLIDES CYP2C8, CCR8, CXCL8 HDAC1 423/4885HDAC8 16/4885KDM4E 1840/4885

“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.