SCHEMBL10191023

SCHEMBL10191023

CCn1c(-c2ccc(C#Cc3ccccc3)cc2)c(C#N)c2ccc(O)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
HTT P42858 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
PDE5A O76074 1/20 0.39
ESR1 P03372 3/20 0.38
GRM4 Q14833 1/20 0.37
AR P10275 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
GRIK2 Q13002 2/20 0.36
MAPK1 P28482 1/20 0.35
STAT3 P40763 1/20 0.35
ESR2 Q92731 1/20 0.35

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
SCHEMBL10097251 0.91 ALDH1A1 (0.49) ALDH1A1KDM4EL3MBTL1MEN1MAPT
SCHEMBL10191034 0.90 ESR1 (0.39) ALDH1A1KDM4EL3MBTL1MEN1MAPT
SCHEMBL10191026 0.88 GRIK2 (0.47) ALDH1A1KDM4EL3MBTL1MEN1MAPT
SCHEMBL10191021 0.88 KDM4E (0.38) ALDH1A1KDM4EL3MBTL1MEN1MAPT
SCHEMBL10191022 0.87 KIF11 (0.40) ALDH1A1KDM4EL3MBTL1MEN1MAPT
SCHEMBL10095395 0.85 L3MBTL1 (0.46) ALDH1A1KDM4EL3MBTL1MEN1MAPT
SCHEMBL10252735 0.84 PDE5A (0.41) ALDH1A1KDM4EL3MBTL1MEN1MAPT
SCHEMBL10097250 0.83 KDM4E (0.41) ALDH1A1KDM4EL3MBTL1MEN1MAPT
SCHEMBL2881906 0.83 KDM4E (0.41) ALDH1A1KDM4EL3MBTL1MEN1MAPT
SCHEMBL10097258 0.81 GRIK2 (0.52) ALDH1A1KDM4EL3MBTL1MEN1MAPT

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 ALDH1A1 591/4885KDM4E 3703/4885L3MBTL1 2809/4885

“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.