SCHEMBL20437900

SCHEMBL20437900

Cc1noc(-c2ccc(C(C)C)c(F)c2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.49
HDAC6 Q9UBN7 1/20 0.46
TP53 P04637 2/20 0.45
MAPT P10636 1/20 0.45
LMNA P02545 1/20 0.44
THRB P10828 1/20 0.44
HTR1A P08908 1/20 0.42
HTR2C P28335 1/20 0.42
PDK2 Q15119 1/20 0.42
BDKRB1 P46663 2/20 0.41
BCHE P06276 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
AOC3 Q16853 2/20 0.40
NPY2R P49146 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA5 P30532 1/20 0.39
CHRNA4 P43681 1/20 0.39
RARA P10276 2/20 0.39

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
SCHEMBL20437904 0.84 ACHE (0.51) ACHETP53MAPTLMNATHRB
SCHEMBL10105633 0.82 TP53 (0.51) ACHETP53MAPTLMNATHRB
SCHEMBL12112410 0.81 ACHE (0.54) ACHETP53MAPTLMNATHRB
SCHEMBL4039087 0.80 ACHE (0.53) ACHETP53MAPTLMNATHRB
SCHEMBL23997094 0.79 ACHE (0.48) ACHEMAPTLMNABCHENPC1
SCHEMBL12586444 0.78 ACHE (0.54) ACHETP53MAPTLMNATHRB
SCHEMBL8226427 0.77 L3MBTL1 (0.56) HDAC6TP53LMNABDKRB1NPC1
SCHEMBL21968012 0.77 ACHE (0.46) ACHEHDAC6TP53MAPTLMNA
SCHEMBL30955217 0.75 ACHE (0.60) ACHETP53MAPTLMNATHRB
SCHEMBL27436300 0.75 ACHE (0.60) ACHETP53MAPTLMNATHRB

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-20180215763-A1 COMPOUNDS AND METHODS FOR CDK8 MODULATION AND INDICATIONS THEREFOR PLEXXIKON INC. 2018-08-02 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-20180215763-A1 COMPOUNDS AND METHODS FOR CDK8 MODULATION AND INDICATIONS THEREFOR CDK8, CDK7, CDK18 ACHE 4061/4885HDAC6 590/4885TP53 655/4885

“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.