SCHEMBL13052090

SCHEMBL13052090

CCOc1ccc2c(F)c(-c3ccc(N=O)cc3)n(CC3CC3)c2c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ICMT O60725 1/20 0.36
GRIN1 Q05586 3/20 0.36
GRIN2B Q13224 3/20 0.36
SRC P12931 1/20 0.36
KCNH2 Q12809 1/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
CNR2 P34972 8/20 0.35
OPRM1 P35372 2/20 0.34
OPRD1 P41143 2/20 0.34
OPRK1 P41145 2/20 0.34
DYRK1A Q13627 2/20 0.33
CNR1 P21554 1/20 0.33
TP53 P04637 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
SCHEMBL13051900 0.88 ICMT (0.36) ICMTGRIN1GRIN2BSRCKCNH2
SCHEMBL2884324 0.86 KCNH2 (0.39) ICMTGRIN1GRIN2BSRCKCNH2
SCHEMBL2884731 0.84 SIGMAR1 (0.43) ICMTGRIN1GRIN2BSRCKCNH2
SCHEMBL2886366 0.80 TP53 (0.42) ICMTMAPTCNR2TP53
SCHEMBL12995603 0.79 ALDH1A1 (0.42) LMNAMAPTCNR2TP53
SCHEMBL12995832 0.78 TP53 (0.41) ICMTSRCKCNH2MAPTCNR2
SCHEMBL13051902 0.78 SRC (0.41) ICMTGRIN1GRIN2BSRCKCNH2
SCHEMBL13051899 0.74 KCNH2 (0.42) ICMTGRIN1GRIN2BSRCKCNH2
SCHEMBL2883878 0.74 KCNH2 (0.39) ICMTGRIN1GRIN2BSRCKCNH2
SCHEMBL2883977 0.72 SIGMAR1 (0.43) ICMTGRIN1GRIN2BSRCKCNH2

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-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 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-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS ICMT 2203/4885GRIN1 2906/4885GRIN2B 3542/4885

“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.