SCHEMBL10191022

SCHEMBL10191022

CCn1c(-c2ccc(C#Cc3ccc(C(F)(F)F)cc3)cc2)c(C#N)c2ccc(O)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.40
ESR1 P03372 4/20 0.37
AR P10275 2/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
S1PR1 P21453 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
ESR2 Q92731 1/20 0.33
KDM1A O60341 2/20 0.32
SRC P12931 1/20 0.32

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
SCHEMBL10097261 0.95 AR (0.40) KIF11ESR1ARKDM4EMEN1
SCHEMBL10095454 0.88 AR (0.43) KIF11ESR1ARKDM4EMEN1
SCHEMBL10095394 0.87 KDM4E (0.37) KIF11ESR1ARKDM4EMEN1
SCHEMBL10191023 0.87 ALDH1A1 (0.43) ESR1ARKDM4EMEN1ALDH1A1
SCHEMBL10191034 0.86 ESR1 (0.39) ESR1ARKDM4EMEN1ALDH1A1
SCHEMBL10251575 0.85 USP7 (0.37) KIF11ESR1ESR2SRCPRKACA
SCHEMBL10191026 0.84 GRIK2 (0.47) ESR1KDM4EMEN1ALDH1A1LMNA
SCHEMBL10097265 0.81 AR (0.39) KIF11ARKDM4EMEN1ALDH1A1
SCHEMBL10097259 0.80 KIF11 (0.39) KIF11KDM4EALDH1A1HTTS1PR1
SCHEMBL10191021 0.80 KDM4E (0.38) ESR1KDM4EMEN1ALDH1A1LMNA

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 KIF11 3319/4885ESR1 4618/4885AR 4848/4885

“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.