SCHEMBL3597013

SCHEMBL3597013

FC(F)(F)c1ccc2c(c1)OCCNC2=S

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.37
PARP10 Q53GL7 1/20 0.37
FABP6 P51161 1/20 0.37
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
HTR1A P08908 1/20 0.37
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP2 O95551 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
AR P10275 1/20 0.34
TRPV1 Q8NER1 2/20 0.33
CHRNB2 P17787 2/20 0.33
CHRNA4 P43681 2/20 0.33
NISCH Q9Y2I1 1/20 0.33
MAP2K4 P45985 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 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
SCHEMBL3594465 0.82 PARP10 (0.54) PARP1PARP10FABP6TDP2AR
SCHEMBL30015862 0.78 AR (0.46) PARP1PARP10FABP6ALDH1A1GAA
SCHEMBL17027034 0.78 AR (0.46) PARP1PARP10FABP6ALDH1A1GAA
SCHEMBL3118100 0.74 MAPT (0.57) PARP1PARP10FABP6ALDH1A1GAA
SCHEMBL29758931 0.70 MAOB (0.58) ALDH1A1SMN1; SMN2
SCHEMBL1452071 0.70 MAOB (0.58) ALDH1A1SMN1; SMN2
SCHEMBL14667892 0.70 HTR2C (0.39) PARP1PARP10HTR1AALDH1A1CHRNB2
SCHEMBL24077529 0.68 PRKCI (0.35) FABP6ALDH1A1GAAMAPTHSD17B10
SCHEMBL30953601 0.68 MAOB (0.47) PARP1PARP10ALDH1A1TDP2SMN1; SMN2
SCHEMBL1450607 0.68 MAOB (0.47) PARP1PARP10ALDH1A1TDP2SMN1; SMN2

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 4 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
US-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 US disclosed
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 PARP1 1468/4885PARP10 1181/4885FABP6 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.