SCHEMBL3068016

SCHEMBL3068016

C[C@@H]1CN(c2cc(F)c(C#Cc3cccnc3)cc2C=O)C[C@H](C)O1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.40
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38
GRM4 Q14833 7/20 0.37
FGFR4 P22455 1/20 0.37
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GRM5 P41594 3/20 0.35
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
KIT P10721 1/20 0.33

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
SCHEMBL3073344 0.84 ERN1 (0.40) ERN1KDM4EHTTGRM4FGFR4
SCHEMBL3068291 0.83 KDM4E (0.44) KDM4EHTTALDH1A1GAASMN1; SMN2
SCHEMBL3066971 0.83 KDM4E (0.44) KDM4EHTTALDH1A1GAASMN1; SMN2
SCHEMBL3069763 0.82 ERN1 (0.46) ERN1KDM4EHTTGRM4GRM5
SCHEMBL3070501 0.80 KDM4E (0.42) KDM4EHTTALDH1A1GAASMN1; SMN2
SCHEMBL3066951 0.79 KDM4E (0.37) KDM4EHTTALDH1A1GAASMN1; SMN2
SCHEMBL3052119 0.78 ERN1 (0.37) ERN1KDM4EHTTALDH1A1GAA
SCHEMBL3057167 0.77 KDM4E (0.41) KDM4EHTTALDH1A1GAASMN1; SMN2
SCHEMBL3069860 0.77 HTT (0.44) KDM4EHTTALDH1A1GAASMN1; SMN2
SCHEMBL3062681 0.76 KDM4E (0.42) KDM4EHTTALDH1A1GAASMN1; SMN2

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-20100261719-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2010-10-14 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-20100261719-A1 CHEMICAL COMPOUNDS NCOA3, NR4A3, NR0B2 ERN1 1745/4885KDM4E 4486/4885HTT 2271/4885

“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.