SCHEMBL3593368

SCHEMBL3593368

CC1(C)Cc2ccc([NH])cc2NC1=O

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.34
PDK4 Q16654 1/20 0.34
OTUD7B Q6GQQ9 12/20 0.34
CMA1 P23946 2/20 0.32
AHR P35869 2/20 0.32
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
CA9 Q16790 1/20 0.31
EIF2AK2 P19525 1/20 0.31
PGR P06401 1/20 0.30
ATAD2 Q6PL18 1/20 0.30

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
SCHEMBL3594228 0.86 BRD4 (0.35) PDK2PDK4OTUD7BAHRCYP1A2
SCHEMBL23685921 0.81 CYP3A4 (0.45) OTUD7BCYP1A2POLBCYP3A4CYP2C19
SCHEMBL30645893 0.79 ESR2 (0.39) OTUD7BCYP3A4
SCHEMBL30100708 0.79 CYP1A2 (0.44) OTUD7BCYP1A2CYP2C19
SCHEMBL23675075 0.79 CYP1A2 (0.44) OTUD7BCYP1A2CYP2C19
SCHEMBL1709821 0.79 CA9 (0.53) PDK2PDK4OTUD7BCA9
SCHEMBL16896923 0.77 OTUD7B (0.55) OTUD7BCYP3A4EIF2AK2PGR
SCHEMBL13382920 0.77 HTR6 (0.38) PDK2PDK4OTUD7B
SCHEMBL6220027 0.74 PDK2 (0.48) PDK2PDK4OTUD7BAHRPOLB
SCHEMBL30100699 0.74 PDK2 (0.48) PDK2PDK4OTUD7BAHRPOLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 US disclosed
EP-2128157-A1 HETEROCYCLIDENE-N-(ARYL)ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2009-12-02 EP 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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE CCNY, CCND3, NSD3 PDK2 3637/4885PDK4 3828/4885OTUD7B 2816/4885

“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.