SCHEMBL10191021

SCHEMBL10191021

CCn1c(-c2ccc(C#Cc3cccc4ccccc34)cc2)c(C#N)c2ccc(O)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
HTT P42858 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
PDE5A O76074 2/20 0.37
CHAT P28329 1/20 0.37
ACACB O00763 1/20 0.36
ESR1 P03372 2/20 0.34
GRIK2 Q13002 1/20 0.32
PTGER4 P35408 2/20 0.32
RORC P51449 1/20 0.32
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31
GRM4 Q14833 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
SCHEMBL10191023 0.88 ALDH1A1 (0.43) KDM4EALDH1A1MEN1MAPTHTT
SCHEMBL10254997 0.85 KDM4E (0.41) KDM4EALDH1A1MEN1MAPTHTT
SCHEMBL10095425 0.84 ALDH1A1 (0.42) KDM4EALDH1A1MEN1MAPTHTT
SCHEMBL10191034 0.83 ESR1 (0.39) KDM4EALDH1A1MEN1MAPTHTT
SCHEMBL10097251 0.81 ALDH1A1 (0.49) KDM4EALDH1A1MEN1MAPTHTT
SCHEMBL10191026 0.81 GRIK2 (0.47) KDM4EALDH1A1MEN1MAPTHTT
SCHEMBL10097257 0.80 KDM4E (0.44) KDM4EALDH1A1MEN1MAPTHTT
SCHEMBL10191022 0.80 KIF11 (0.40) KDM4EALDH1A1MEN1MAPTHTT
SCHEMBL10097250 0.77 KDM4E (0.41) KDM4EALDH1A1MEN1MAPTHTT
SCHEMBL2881906 0.77 KDM4E (0.41) KDM4EALDH1A1MEN1MAPTHTT

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-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 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-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS KDM4E 3703/4885ALDH1A1 591/4885MEN1 4815/4885

“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.