SCHEMBL3594465

SCHEMBL3594465

O=C1NCCOc2cc(C(F)(F)F)ccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 3/20 0.54
PARP1 P09874 1/20 0.54
FABP6 P51161 1/20 0.54
PARP11 Q9NR21 2/20 0.46
GSK3B P49841 1/20 0.44
TDP2 O95551 1/20 0.43
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
HTR2B P41595 2/20 0.40
MAP3K5 Q99683 1/20 0.40
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
AR P10275 1/20 0.39
CTSL P07711 2/20 0.39
CTSV O60911 1/20 0.39
CTSB P07858 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CTSS P25774 1/20 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
SCHEMBL701202 0.85 FABP6 (0.50) PARP10PARP1FABP6PARP11GSK3B
SCHEMBL15586859 0.82 FABP6 (0.48) PARP10PARP1FABP6PARP11GSK3B
SCHEMBL3597013 0.82 PARP1 (0.37) PARP10PARP1FABP6TDP2AR
SCHEMBL16014463 0.81 FABP6 (0.47) PARP10PARP1FABP6PARP11GSK3B
SCHEMBL14353902 0.80 FABP6 (0.59) PARP10PARP1FABP6PARP11GSK3B
SCHEMBL1887176 0.80 FABP6 (0.77) PARP10PARP1FABP6PARP11GSK3B
SCHEMBL16024278 0.79 FABP6 (0.45) PARP10PARP1FABP6PARP11GSK3B
SCHEMBL17027034 0.78 AR (0.46) PARP10PARP1FABP6AR
SCHEMBL30015862 0.78 AR (0.46) PARP10PARP1FABP6AR
SCHEMBL14553935 0.77 FABP6 (0.56) PARP10PARP1FABP6PARP11MAP3K5

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 PARP10 1181/4885PARP1 1468/4885FABP6 3871/4885

“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.